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2-Phenylcyclohexanone

2-Phenylcyclohexanone structure

CAS No:
1444-65-1
Formula:
C12H14O
Chemical Name:
2-Phenylcyclohexanone
Synonyms:
Cyclohexanone,2-phenyl-;2-Phenylcyclohexanone;α-Phenylcyclohexanone;2-Phenyl-1-cyclohexanone;(±)-2-Phenylcyclohexanone;NSC 22252;55700-93-1
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white crystalline powder

2-Phenylcyclohexanone Basic Attributes

Molecular Weight：

174.243

Exact Mass：

174.24

EC Number：

215-888-7

NSC Number：

22252

HScode：

29143900

Characteristics

PSA：

17.1

XLogP3：

2.6

Appearance：

white crystalline powder

Density：

0.9669 (rough estimate)

Melting Point：

63 °C

Boiling Point：

155-160 °C

Flash Point：

>230 °F

Refractive Index：

1.5180 (estimate)

Water Solubility：

Slightly soluble in water.

Vapor Pressure：

0.00167mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

Computed Properties

Molecular Weight:174.24
XLogP3:2.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:174.104465066
Monoisotopic Mass:174.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:13
Complexity:180
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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