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1-O-TOLYL-PENTAN-1-ONE

1-O-TOLYL-PENTAN-1-ONE structure

CAS No:
20359-56-2
Formula:
C12H16O
Chemical Name:
1-O-TOLYL-PENTAN-1-ONE
Synonyms:
1-o-Tolyl-pentan-1-one;1-(2-methylphenyl)pentan-1-one;1-(2-methylphenyl)-1-pentanone;1-Pentanone, 1-(2-methylphenyl)-;1-o-Tolylpentan-1-one;4-butyl methylphenyl ketone;1-(o-tolyl)-pentan-1-one;SCHEMBL4936709;DTXSID10496399;MFCD09031809
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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1-O-TOLYL-PENTAN-1-ONE Basic Attributes

Molecular Weight：

176.25500

Exact Mass：

176.12000

DSSTox ID：

DTXSID10496399

HScode：

2914399090

Characteristics

PSA：

17.07000

XLogP3：

3.36790

Density：

0.943

Boiling Point：

261ºC

Flash Point：

118ºC

Refractive Index：

1.5

Vapor Pressure：

0.0116mmHg at 25°C

Computed Properties

Molecular Weight:176.25
XLogP3:3.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:176.120115130
Monoisotopic Mass:176.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:13
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1-(2-methylphenyl)pentan-1-one 20359-56-2

CAS No.: 20359-56-2

Grade: Industrial Grade

Content: 99%

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