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

CAS: 18979-60-7 Cat. No.: P191792 Fórmula: C₉H₁₂O₂ Peso molecular: 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

Sinónimos

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

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

528759935

Sonrisas canónicas

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

Isómeros SMILES

CCCC1=C(C=C(C=C1)O)O

PubChem CID

87874

Peso molecular

152.19

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 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