5-Oxononanoic acid

CAT: 0127-OR1046027-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1046027-01Size:100 mg

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CAS Number

3637-15-8

MDL Number

MFCD01320162

Purity

95%

Smiles

CCCCC(CCCC(O)=O)=O

Chemical Information

5-Oxononanoic acid

4-n-valeryl butyric acid is a medium-chain fatty acid.

CAS Number	3637-15-8
PubChem CID	5282980
IUPAC Name	5-oxononanoic acid
Molecular Formula	C9H16O3
Molecular Weight	172.22
XLogP	1.1
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	12
Formal Charge	0
Complexity	152

SMILES

CCCCC(=O)CCCC(=O)O

InChI

InChI=1S/C9H16O3/c1-2-3-5-8(10)6-4-7-9(11)12/h2-7H2,1H3,(H,11,12)

InChIKey

IOLZRTYKQAFXFB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3637-15-8

CID: 5282980

Formula: C9H16O3

MW: 172.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.22
XLogP3	1.1
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 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	152
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1047020-01	8-Oxononanoic acid
OR1063526-01	4-Oxononanoic acid
BUP06472-01	9-Oxononanoic Acid
OR1070503-01	9-Ethoxy-9-oxononanoic acid
OR1047879-01	9-Amino-9-oxononanoic acid
OR97918A-01	7-Methyl-8-oxononanoic acid
OR97918	7-Methyl-8-oxononanoic acid
OR1012120-01	9- (Tert-Butoxy) -9-Oxononanoic Acid
OR1875T-01	(8S) -8-Amino-7-oxononanoic acid hydrochloride
OR1033569-01	(S) -2-Amino-9-ethoxy-9-oxononanoic acid

Catalog	Name
GTR19244075-01	9-Oxononanoic Acid
TRC-O991465-1G	8-Oxononanoic Acid
GTR19271557-01	4-oxononanoic acid
NAA13994-01	2-Oxononanoic acid
HY-W614135-01	7-Methyl-8-oxononanoic acid
HY-145576	2-Amino-8-oxononanoic acid
T124817-01	8-Amino-7-oxononanoic acid
HY-W510032-01	9-Ethoxy-9-oxononanoic acid
HY-145576B-01	2-Amino-8-oxononanoic acid (hydrochloride)
HY-W098052R	9-Methoxy-9-oxononanoic acid (Standard)