2-Methylnonanoic acid

CAT: 0127-OR1038275-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1038275-01Size:250 mg

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CAS Number

24323-21-5

Purity

95%

Smiles

O=C(C(CCCCCCC)C)O

Chemical Information

2-Methylnonanoic acid

2-methyl nonaoic acid is a medium-chain fatty acid.

CAS Number	24323-21-5
PubChem CID	91166
IUPAC Name	2-methylnonanoic acid
Molecular Formula	C10H20O2
Molecular Weight	172.26
XLogP	4
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

CCCCCCCC(C)C(=O)O

InChI

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

InChIKey

KUSYIGBGHPOWEL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24323-21-5

CID: 91166

Formula: C10H20O2

MW: 172.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.26
XLogP3	4
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

Catalog	Name
OR1063488-01	3-Methylnonanoic acid
OR25668-01	8-Methylnonanoic acid
OR75206	4-Methylnonanoic acid
BUP11382-01	4-methylnonanoic acid
OR1067735-01	5-Methylnonanoic acid
OR1030566-01	4-Methylnonanoic Acid
OR1071015-01	7-Methylnonanoic acid
PC1007558-01	2- (2-Pyridyloxy) acetic acid;2,2,2-trifluoroacetic acid
OR1072110-01	2,2-Dipropylpentanoic acid
PC106881	2,2-Difluorohexanoic acid

Catalog	Name
283309-01	4-Methylnonanoic acid
KBA20579-01	3-Methylnonanoic acid
MBS392217-01	8-Methylnonanoic Acid
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MBS6054549-01	2-Mercaptophenylacetic Acid (2-Mercaptobenzeneacetic Acid)
TRC-N345640-5G	2-Naphthoic Acid (2-Naphthalenecarboxylic Acid)
AR-V01417-01	Vildagliptin carboxylic acid 2,2,2-trifluoroacetic acid
A0536-45	2-Acetylthioisobutyric Acid ((2-Acetylthio) -2-methylpropanoic Acid)
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214461	2-Propylvaleric Acid (Valproic Acid)