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4-methylhept-6-en-3-one

4-methylhept-6-en-3-one structure

CAS No:
26118-97-8
Formula:
C8H14O
Chemical Name:
4-methylhept-6-en-3-one
Synonyms:
4-Methyl-1-hepten-5-one;4-Methyl-6-hepten-3-one;6-Hepten-3-one, 4-methyl-;26118-97-8;NSC128209;NSC 128209;4-Methyl-6-hepten-3-one #;SCHEMBL5088544;LMFA12000108;AKOS012856912;NSC-128209

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4-methylhept-6-en-3-one Basic Attributes

Molecular Weight：

126.20 g/mol

Exact Mass：

126.104465066 g/mol

NSC Number：

128209

HScode：

2914190090

Characteristics

PSA：

17.1 Å²

XLogP3：

2.1777

Density：

0.823g/cm3

Boiling Point：

164.5ºC at 760mmHg

Flash Point：

47.3ºC

Refractive Index：

1.42

Vapor Pressure：

1.96mmHg at 25°C

4-methylhept-6-en-3-one Use and Manufacturing

Use Classification：

Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]

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:105
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

146431-08-5

Hot Searches: serpiginous; linea semilunaris; tert butanol; catechol; alumina molar mass; ammonium sulfide

Guide of 4-methylhept-6-en-3-one

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
Synthesis Route

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