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Substance Name: 2-Phenylcycloheptan-1-one
RN: 14996-78-2
InChIKey: PVHNKILPLXXDDZ-UHFFFAOYSA-N

Molecular Formula

  • C13-H16-O

Molecular Weight

  • 188.268
 
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Names and Synonyms

Synonym

  • EINECS 239-083-5

Systematic Name

  • 2-Phenylcycloheptan-1-one

Registry Numbers

CAS Registry Number

  • 14996-78-2

System Generated Number

  • 0014996782

Structure Descriptors

InChI

1S/C13H16O/c14-13-10-6-2-5-9-12(13)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2

InChIKey

PVHNKILPLXXDDZ-UHFFFAOYSA-N

Smiles

C1([C@@H](c2ccccc2)CCCCC1)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 22.2 deg C   EXP
log P (octanol-water) 3.250 (none)   EST
Atmospheric OH Rate Constant 1.91E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.