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(±)-2-n-Propyl-4-pentenoic acid

(±)-2-n-Propyl-4-pentenoic acid structure

CAS No:
1575-72-0
Formula:
C8H14O2
Chemical Name:
(±)-2-n-Propyl-4-pentenoic acid
Synonyms:
4-Pentenoic acid,2-propyl-;2-Propyl-4-pentenoic acid;Pentanoic acid,2-(2-propenyl)-;2-n-Propyl-4-pentenoic acid;2-Allylpentanoic acid;(±)-2-n-Propyl-4-pentenoic acid;124815-86-7

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Description

Solid

2-n-Propyl-4-pentenoic acid is a methyl-branched fatty acid.

(±)-2-n-Propyl-4-pentenoic acid Basic Attributes

Molecular Weight：

142.19600

Exact Mass：

142.20

HScode：

2916190090

Characteristics

PSA：

37.30000

XLogP3：

2.06340

Appearance：

Solid

Density：

0.943g/cm3

Boiling Point：

95-100 °C @ Press: 5 Torr

Flash Point：

126.2ºC

Refractive Index：

1.448

Safety Information

Transport codes：

UN 2810 6.1 / PGIII

RTECS Number：

SB3362000

Precautionary statement(s)：

P301 + P310

Hazard Statements：

H301

Drug Information

MeSH：

An agent that causes the production of physical defects in the developing embryo. (See all compounds classified as Teratogens.)

Metabolism/Metabolites：

4-ene-valproate is a known human metabolite of valproic acid.

MeSH Entry Terms：

2-propyl-4-pentenoic acid

(±)-2-n-Propyl-4-pentenoic acid Use and Manufacturing

Use Classification：

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]

Computed Properties

Molecular Weight:142.20
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:142.099379685
Monoisotopic Mass:142.099379685
Topological Polar Surface Area:37.3
Heavy Atom Count:10
Complexity:118
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (±)-2-n-Propyl-4-pentenoic acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

(±)-2-n-Propyl-4-pentenoic acid

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