2-Phenylcycloheptanone

CAS Registry Number®

14996-78-2
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CAS Name

2-Phenylcycloheptanone

Molecular Formula

C13H16O

Molecular Mass

188.27

Cite this Page

2-Phenylcycloheptanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14996-78-2 (retrieved 2024-09-07) (CAS RN: 14996-78-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    133-137 °C @ Press: 1 Torr

  • Melting Point (2)

    22.2 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey=PVHNKILPLXXDDZ-UHFFFAOYSA-N

SMILES

O=C1C(CCCCC1)C2=CC=CC=C2

Canonical SMILES

O=C1CCCCCC1C=2C=CC=CC2

Other Names for this Substance

  • Cycloheptanone, 2-phenyl-
  • 2-Phenylcycloheptanone
  • NSC 80682
  • 2-Phenylcycloheptan-1-one

Deleted or Replaced CAS Registry Numbers

60492-32-2