4-Propylresorcinol - ≥97% , CAS No.18979-60-7

CAS: 18979-60-7 Cat. No.: P191792 Formula: C₉H₁₂O₂ Peso molecolare: 152.19 PubChem CID: 87874

GRADE & PURITY ≥97%

Synonyms

4-n-Propylresorcinol | RESORCINOL, 4-PROPYL- | 4-Propyl-1,3-benzenediol # | AMY40717 | 6-propylresorcinol | SCHEMBL68200 | 1,3-Benzenediol, 4-propyl- | 4-Propylresorcinol | EINECS 242-714-7 | UNII-N3P36AAK2U | N3P36AAK2U | DTXSID90172402 | 4-propylbenzene

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

4-n-Propylresorcinol | RESORCINOL, 4-PROPYL- | 4-Propyl-1,3-benzenediol # | AMY40717 | 6-propylresorcinol | SCHEMBL68200 | 1,3-Benzenediol, 4-propyl- | 4-Propylresorcinol | EINECS 242-714-7 | UNII-N3P36AAK2U | N3P36AAK2U | DTXSID90172402 | 4-propylbenzene

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 528759935
• Sorrisi canonici: CCCC1=C(C=C(C=C1)O)O
• IUPAC Name: 4-propylbenzene-1,3-diol
• InChIKey: DJDHQJFHXLBJNF-UHFFFAOYSA-N
• INCHI: 1S/C9H12O2/c1-2-3-7-4-5-8(10)6-9(7)11/h4-6,10-11H,2-3H2,1H3
• Isomeri SMILES: CCCC1=C(C=C(C=C1)O)O
• PubChem CID: 87874
• Peso molecolare: 152.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Resorcinols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane 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

Proprietà chimiche e fisiche

• Peso molecolare: 152.190 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 152.084 Da
• Monoisotopic Mass: 152.084 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 114.000
• 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