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3-(Phenylmethylene)-4-heptanone

3-(Phenylmethylene)-4-heptanone structure

CAS No:
71820-49-0
Formula:
C14H18O
Chemical Name:
3-(Phenylmethylene)-4-heptanone
Synonyms:
4-Heptanone,3-(phenylmethylene)-;3-(Phenylmethylene)-4-heptanone;2-Ethyl-1-phenyl-hex-1-en-3-one

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3-(Phenylmethylene)-4-heptanone Basic Attributes

Molecular Weight：

202.29200

Exact Mass：

202.29

DSSTox ID：

DTXSID0072433

Characteristics

PSA：

17.07000

XLogP3：

3.84920

Density：

0.963g/cm3

Boiling Point：

161-162 °C @ Press: 14 Torr

Flash Point：

118.3ºC

Refractive Index：

1.533

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

3-(Phenylmethylene)-4-heptanone Use and Manufacturing

Manufacturing Info：

4-Heptanone, 3-(phenylmethylene)-: INACTIVE

Computed Properties

Molecular Weight:202.29
XLogP3:3.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:202.135765193
Monoisotopic Mass:202.135765193
Topological Polar Surface Area:17.1
Heavy Atom Count:15
Complexity:222
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(Phenylmethylene)-4-heptanone

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

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