4-methylnonanoic acid

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Description

4-methylnonanoic acid is a RIFM fragrance and one of the sources of mutton odor.

CAS Number

45019-28-1

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

172.26

Molecular Formula

C10H20O2

Notes

Research use only, not for human use.

Receptor

Others

Chemical Information

4-Methylnonanoic acid

4-Methylnonanoic acid is a medium-chain fatty acid.

CAS Number	45019-28-1
PubChem CID	62003
IUPAC Name	4-methylnonanoic acid
Molecular Formula	C10H20O2
Molecular Weight	172.26
XLogP	3.6
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Heavy Atom Count	12
Formal Charge	0
Complexity	121

SMILES

CCCCCC(C)CCC(=O)O

InChI

InChI=1S/C10H20O2/c1-3-4-5-6-9(2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)

InChIKey

WQTZCQIRCYSUBQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 45019-28-1

CID: 62003

Formula: C10H20O2

MW: 172.26

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	172.26
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	172.146329876
Monoisotopic Mass	172.146329876
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	121
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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283309-01	4-Methylnonanoic acid
OR1063488-01	3-Methylnonanoic acid
OR25668-01	8-Methylnonanoic acid
OR1038275-01	2-Methylnonanoic acid
OR1067735-01	5-Methylnonanoic acid
OR1071015-01	7-Methylnonanoic acid
M2952-64	4-Mercaptophenylbutyric Acid (4- (4-Mercaptophenyl) butyric Acid)
MBS6028591-01	4-Mercaptophenylbutyric Acid (4-(4-Mercaptophenyl)butyric Acid)
sc-277680	4,4,4-Trichlorobutyric acid
PC3392-01	4,4,4-Trifluorocrotonic acid

4-methylnonanoic acid

Chemical Information

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