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6-methylhept-6-en-2-one

6-methylhept-6-en-2-one structure

CAS No:
10408-15-8
Formula:
C8H14O
Chemical Name:
6-methylhept-6-en-2-one
Synonyms:
6-methyl-6-hepten-2-one;6-Methyl-6-hepten-2-one;6-methylhept-6-en-2-one;10408-15-8;6-Hepten-2-one, 6-methyl-;6-Hepten-2-one,6-methyl-;1-Hepten-6-one, 2-methyl-;2-methyl-1-hepten-6-one;6-methyl -6-hepten-2-one;6-methyl-hept-6-en-2-one;2-methyl-6-oxo-hept-1-ene;SCHEMBL4402095;DTXSID70146247;AMY15319;ZINC5158286;AKOS017269845;FT-0699518

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6-methylhept-6-en-2-one Basic Attributes

Molecular Weight：

126.20 g/mol

Exact Mass：

126.104465066 g/mol

DSSTox ID：

DTXSID70146247

HScode：

2914190090

Characteristics

PSA：

17.1 Å²

XLogP3：

2.3218

Density：

0.826g/cm3

Boiling Point：

169.4ºC at 760mmHg

Flash Point：

49.7ºC

Refractive Index：

1.421

Vapor Pressure：

1.55mmHg at 25°C

Drug Information

MeSH Entry Terms：

6-methyl-6-hepten-2-one

Computed Properties

Molecular Weight:126.20
XLogP3:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:126.104465066
Monoisotopic Mass:126.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

4630-06-2

92747-33-6

104857-59-2

38237-34-2

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Guide of 6-methylhept-6-en-2-one

Basic Attributes
Characteristics
Drug Information
Computed Properties
Synthesis Route

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