2-Methoxyresorcin - ≥98% , CAS No.29267-67-2

CAS: 29267-67-2 Cat. No.: M330655 Summenformel: C₇H₈O₃ Molekulargewicht: 140.14

GRADE & PURITY ≥98%

Synonyms

2-Methoxy-1,3-benzenediol # | 2-O-methylpyrogallol | KBio3_002299 | 2-Methoxyresorcinol | Spectrum4_001560 | DTXSID60183520 | 1,3-Benzenediol, 2-methoxy- | KBio2_000878 | RESORCINOL, 2-METHOXY- | EINECS 249-542-1 | Spectrum5_000160 | SR-05000002376-1 | NC

Storage

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Specifications

Synonyme

2-Methoxy-1,3-benzenediol # | 2-O-methylpyrogallol | KBio3_002299 | 2-Methoxyresorcinol | Spectrum4_001560 | DTXSID60183520 | 1,3-Benzenediol, 2-methoxy- | KBio2_000878 | RESORCINOL, 2-METHOXY- | EINECS 249-542-1 | Spectrum5_000160 | SR-05000002376-1 | NC

Spezifikationen & Reinheit

≥98%

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528757452

Kanonisches Lächeln

COC1=C(C=CC=C1O)O

IUPAC Name

2-methoxybenzene-1,3-diol

InChIKey

QFYYAIBEHOEZKC-UHFFFAOYSA-N

INCHI

1S/C7H8O3/c1-10-7-5(8)3-2-4-6(7)9/h2-4,8-9H,1H3

Isomere SMILES

COC1=C(C=CC=C1O)O

Molekulargewicht

140.14

Reaxy-Rn

2613591

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2613591&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Resorcinols Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Methoxybenzene - Resorcinol - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Zugehörige Ziele (menschlich)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Dichloromethane, Ethanol, Ethyl Acetate and Methanol
• Schmelzpunkt (°C): 82-84° C
• Molekulargewicht: 140.140 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 140.047 Da
• Monoisotopic Mass: 140.047 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1