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

CAS: 18979-60-7 Cat. No.: P191792 Formule: C₉H₁₂O₂ Poids moléculaire: 152.19 PubChem CID: 87874

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

528759935

Sourires canoniques

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

Isomères SMILES

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

PubChem CID

87874

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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