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4-OXONONANOICACID

4-OXONONANOICACID structure

CAS No:
6064-52-4
Formula:
C9H16O3
Chemical Name:
4-OXONONANOICACID
Synonyms:
4-OXONONANOIC ACID;4-oxo-nonanoic acid;4-Oxopelargonic acid;UNII-2P2N5565DE;Nonanoicacid, 4-oxo-;3-caproyl propionic acid;2P2N5565DE;4-ketononanoic acid;SCHEMBL449947;CTK2F8998

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Description

3-caproyl propionic acid is an oxo carboxylic acid.

4-OXONONANOICACID Basic Attributes

Molecular Weight：

172.221

Exact Mass：

172.109940

UNII：

2P2N5565DE

DSSTox ID：

DTXSID50209445

HScode：

2918300090

Characteristics

PSA：

54.37000

XLogP3：

1.63

Density：

1.0±0.1 g/cm3

Boiling Point：

298.2±13.0 °C at 760 mmHg

Flash Point：

148.4±16.3 °C

Refractive Index：

1.450

Safety Information

Precautionary statement(s)：

P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, P501

Hazard Statements：

H302

4-OXONONANOICACID Use and Manufacturing

Use Classification：

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106]

Computed Properties

Molecular Weight:172.22
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:172.109944368
Monoisotopic Mass:172.109944368
Topological Polar Surface Area:54.4
Heavy Atom Count:12
Complexity:152
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-OXONONANOICACID

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

4-OXONONANOICACID

SDS

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