(S) -2-Methylvaleric Acid

CAT: 0024-sc-484721Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-484721Size:25 mg

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CAS Number

1187-82-2

Chemical Information

(+)-2-Methylpentanoic acid

CAS Number	1187-82-2
PubChem CID	642231
IUPAC Name	(2S)-2-methylpentanoic acid
Molecular Formula	C6H12O2
Molecular Weight	116.16
XLogP	1.8
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	78

SMILES

CCC[C@H](C)C(=O)O

InChI

InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/t5-/m0/s1

InChIKey

OVBFMEVBMNZIBR-YFKPBYRVSA-N

Chemical Structure

2D Structure

CAS: 1187-82-2

CID: 642231

Formula: C6H12O2

MW: 116.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	116.16
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	116.083729621
Monoisotopic Mass	116.083729621
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	78.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
sc-296320	(S) -2-Chloro-4-methylvaleric Acid
sc-296320A	(S) -2-Chloro-4-methylvaleric Acid
sc-238160	2-Methylvaleric acid
sc-238911	4-Methylvaleric acid
sc-288601	(2S,3S) -2-Chloro-3-methylvaleric Acid
sc-288601A	(2S,3S) -2-Chloro-3-methylvaleric Acid
sc-484799	4-Methylvaleric Acid Methyl Ester
sc-486865	3-Hydroxy-3-methylvaleric Acid
sc-487752	4-Methylvaleric Acid Ethyl-d5 Ester
sc-484804	4-Methylvaleric Acid Methyl-d3 Ester

Catalog	Name
GTR19157553	2-METHYLVALERIC ACID
TRC-M338520-100MG	(S)-2-Methylvaleric Acid
M30310-01	2-Methylvaleric acid 98%
HY-W010516R-01	2-Methylvaleric acid (Standard)
017578	S-2-Methylvaleric Acid
HY-W010513-01	3-Methylvaleric Acid
C11763-25ul	4-Methylvaleric acid