Phenylpropanoic acids

Description:

Compounds with a structure containing a benzene ring conjugated to a propanoic acid.

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  1. Ronacaleret Hydrochloride
    CAS: 702686-96-2 Formula: C25H32ClF2NO4 Molecular Weight: 484
    Out of Stock Item #: R1315946
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    IUPAC Name
    3-[3-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]-4,5-difluorophenyl]propanoic acid;hydrochloride
    SMILES
    CC(C)(CC1CC2=CC=CC=C2C1)NC[C@H](COC3=C(C(=CC(=C3)CCC(=O)O)F)F)O.Cl
    InChIKey
    BQGSCEAKPBWIDI-VEIFNGETSA-N
    InChI
    1S/C25H31F2NO4.ClH/c1-25(2,13-17-9-18-5-3-4-6-19(18)10-17)28-14-20(29)15-32-22-12-16(7-8-23(30)31)11-21(26)24(22)27;/h3-6,11-12,17,20,28-29H,7-10,13-1show more
  2. L-2-Aminooxy-3-phenylpropanoic acid
    Formula: C9H11NO3 Molecular Weight: 181.19
    Out of Stock Item #: L1342378
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    Technical Identifiers
    IUPAC Name
    (2S)-2-aminooxy-3-phenylpropanoic acid
    SMILES
    C1=CC=C(C=C1)C[C@@H](C(=O)O)ON
    InChIKey
    BRKLOAHUJZWUQQ-QMMMGPOBSA-N
    InChI
    1S/C9H11NO3/c10-13-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
  3. (S)-(+)-Ibuprofen-d3
    CAS: 1329643-44-8 PubChem CID: 59014963
    Out of Stock Item #: S987203
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    IUPAC Name
    (2S)-3,3,3-trideuterio-2-[4-(2-methylpropyl)phenyl]propanoic acid
    SMILES
    CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
    InChIKey
    HEFNNWSXXWATRW-PCXQMPHHSA-N
    InChI
    1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1/i3D3
  4. (R)-Sodium Danshensu
    CAS: 81075-52-7 PubChem CID: 23693207 Formula: C9H9NaO5 Molecular Weight: 220.15
    Out of Stock Item #: R944649
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    IUPAC Name
    sodium;(2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate
    SMILES
    C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O.[Na+]
    InChIKey
    ZMMKVDBZTXUHFO-DDWIOCJRSA-M
    InChI
    1S/C9H10O5.Na/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14;/h1-3,8,10-12H,4H2,(H,13,14);/q;+1/p-1/t8-;/m1./s1
  5. Ibuprofen-13C6
    CAS: 1216459-54-9 PubChem CID: 46781932 Formula: C713C6H18O2 Molecular Weight: 212.24
    Out of Stock Item #: I1253530
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    IUPAC Name
    2-[4-(2-methylpropyl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]propanoic acid
    SMILES
    CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
    InChIKey
    HEFNNWSXXWATRW-HNHUTNRMSA-N
    InChI
    1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i4+1,5+1,6+1,7+1,11+1,12+1
  6. 2-[4-(3-Methyl-2-thienyl)phenyl]propionic acid
    CAS: 70991-61-6 Formula: C14H14O2S Molecular Weight: 246.330
    Out of Stock Item #: M962053
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    IUPAC Name
    2-[4-(3-methylthiophen-2-yl)phenyl]propanoic acid
    SMILES
    CC1=C(SC=C1)C2=CC=C(C=C2)C(C)C(=O)O
    InChIKey
    DTOPKPBTCXKNFF-UHFFFAOYSA-N
    InChI
    1S/C14H14O2S/c1-9-7-8-17-13(9)12-5-3-11(4-6-12)10(2)14(15)16/h3-8,10H,1-2H3,(H,15,16)
  7. (2Z)-2-(Hydroxyimino)-3-phenylpropanoic acid
    CAS: 3682-17-5 Formula: C9H9NO3 Molecular Weight: 179.170
    Out of Stock Item #: Z956711
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    Technical Identifiers
    IUPAC Name
    (2Z)-2-hydroxyimino-3-phenylpropanoic acid
    SMILES
    C1=CC=C(C=C1)C/C(=N/O)/C(=O)O
    InChIKey
    PNTMGOUAICFJQK-NTMALXAHSA-N
    InChI
    1S/C9H9NO3/c11-9(12)8(10-13)6-7-4-2-1-3-5-7/h1-5,13H,6H2,(H,11,12)/b10-8-
  8. 2-(2-methylphenyl)propanoic acid
    CAS: 62835-95-4 EC Number: 622-698-1 Formula: C10H12O2 Molecular Weight: 164.08
    Solid ≥95%
    Out of Stock Item #: P769154
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    Technical Identifiers
    SMILES
    CC1=CC=CC=C1C(C)C(=O)O
    InChIKey
    MQHULLOCAJMXJU-UHFFFAOYSA-N
    InChI
    1S/C10H12O2/c1-7-5-3-4-6-9(7)8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)
  9. 3-Aminobenzenepropanoic acid hydrochloride
    CAS: 102879-44-7 EC Number: 968-164-4 Formula: C9H12ClNO2 Molecular Weight: 201.65
    Solid ≥97%
    Out of Stock Item #: H771051
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    Technical Identifiers
    SMILES
    C1=CC(=CC(=C1)N)CCC(=O)O.Cl
    InChIKey
    QBOBODDISCLHPG-UHFFFAOYSA-N
    InChI
    1S/C9H11NO2.ClH/c10-8-3-1-2-7(6-8)4-5-9(11)12;/h1-3,6H,4-5,10H2,(H,11,12);1H
    Synonyms
    3-(3-Aminophenyl)propanoic acid hydrochloride
  10. 4-Mercaptohydrocinnamic Acid
    CAS: 63545-55-1 PubChem CID: 579784 Formula: C9H10O2S Molecular Weight: 182.24
    Solid ≥95%
    Out of Stock Item #: M768533
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    IUPAC Name
    3-(4-sulfanylphenyl)propanoic acid
    SMILES
    C1=CC(=CC=C1CCC(=O)O)S
    InChIKey
    YQWPHBFLHAJVCG-UHFFFAOYSA-N
    InChI
    InChI=1S/C9H10O2S/c10-9(11)6-3-7-1-4-8(12)5-2-7/h1-2,4-5,12H,3,6H2,(H,10,11)
    Synonyms
    3-(4-Mercaptophenyl)propionic Acid
  11. 4-Carboxy-α-methylbenzeneacetic Acid
    CAS: 67381-50-4 PubChem CID: 181888 Formula: C10H10O4 Molecular Weight: 194.18
    Out of Stock Item #: C770726
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    IUPAC Name
    4-(1-carboxyethyl)benzoic acid
    SMILES
    CC(C1=CC=C(C=C1)C(=O)O)C(=O)O
    InChIKey
    ZHJJCJKDNFTHKD-UHFFFAOYSA-N
    InChI
    1S/C10H10O4/c1-6(9(11)12)7-2-4-8(5-3-7)10(13)14/h2-6H,1H3,(H,11,12)(H,13,14)
  12. 3-(3-Fluoro-2-methylphenyl)propanoic acid
    CAS: 377083-80-2 PubChem CID: 46737564 Formula: C10H11FO2 Molecular Weight: 182.19
    Out of Stock Item #: P770982
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    Technical Identifiers
    IUPAC Name
    3-(3-fluoro-2-methylphenyl)propanoic acid
    SMILES
    CC1=C(C=CC=C1F)CCC(=O)O
    InChIKey
    ASZYDQYGUZNHFU-UHFFFAOYSA-N
    InChI
    1S/C10H11FO2/c1-7-8(5-6-10(12)13)3-2-4-9(7)11/h2-4H,5-6H2,1H3,(H,12,13)
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