2-Methylhexanoic acid 500mg

CAT: 0628-A17815-500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0628-A17815-500Size:500 mg

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CAS Number

4536-23-6

Chemical Information

2-Methylhexanoic Acid

2-methylhexanoic acid is a medium-chain fatty acid.

CAS Number	4536-23-6
PubChem CID	20653
IUPAC Name	2-methylhexanoic acid
Molecular Formula	C7H14O2
Molecular Weight	130.18
XLogP	2.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	88

SMILES

CCCCC(C)C(=O)O

InChI

InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)

InChIKey

CVKMFSAVYPAZTQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4536-23-6

CID: 20653

Formula: C7H14O2

MW: 130.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.18
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	130.099379685
Monoisotopic Mass	130.099379685
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	88.9
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
A17815-50	2-Methylhexanoic acid 50mg
A17815-100	2-Methylhexanoic acid 100mg
A17815-1000	2-Methylhexanoic acid 1g
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A15432-500	2-hexadecenoic acid 500mg
A20628-500	Azetidine-2-carboxylic acid 500mg
A22397-500	2,5-Dihydroxybenzoic acid 500mg
A22385-500	Anthraquinone-2-carboxylic acid 500mg
A15595-500	2,6-Dimethoxybenzoic acid 500mg
A19153-500	2,3-Diaminopropionic acid 500mg

Catalog	Name
T8080-01	2-Methylhexanoic acid
HY-128371-01	2-Methylhexanoic acid
MBS5786128	2-?Methylhexanoic acid
HY-128371R-01	2-?Methylhexanoic acid (Standard)
ZBA64251-01	(2S) -2-Methylhexanoic acid
ZCA10660-01	2-Fluoro-2-methylhexanoic acid
KCA18296-01	2-Amino-3-methylhexanoic acid
FAA65999-01	2-Fluoro-5-methylhexanoic acid
FAA44033-01	2-Acetamido-5-methylhexanoic acid
TRC-A192141-1G	2-Amino-5-methylhexanoic Acid