(S) -Methyl 2-hydroxy-3-methylbutanoate

CAT: 0926-ZAA34763Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-ZAA34763Size:5 g

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CAS Number

24347-63-5

MDL Number

MFCD09264168

Smiles

CC (C) [C@@H] (C (=O) OC) O

Molecular Formula

C6H12O3

Molecular Weight

132.16 g/mol

Controlled

Chemical Information

(S)-Methyl 2-hydroxy-3-methylbutanoate

CAS Number	24347-63-5
PubChem CID	11194352
IUPAC Name	methyl (2S)-2-hydroxy-3-methylbutanoate
Molecular Formula	C6H12O3
Molecular Weight	132.16
XLogP	0.8
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	98

SMILES

CC(C)[C@@H](C(=O)OC)O

InChI

InChI=1S/C6H12O3/c1-4(2)5(7)6(8)9-3/h4-5,7H,1-3H3/t5-/m0/s1

InChIKey

YSGBMDFJWFIEDF-YFKPBYRVSA-N

Chemical Structure

2D Structure

CAS: 24347-63-5

CID: 11194352

Formula: C6H12O3

MW: 132.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	132.16
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	132.078644241
Monoisotopic Mass	132.078644241
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	98.5
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
JBA29367-01	Methyl 3-hydroxy-2-methylbutanoate
GAA14945	Methyl 3-hydroxy-3-methylbutanoate
AAA86857	Methyl 2-methylbutanoate
EBA54055-01	Methyl 2-benzoyl-3-methylbutanoate
TFA77073-01	Methyl 2- (dimethoxymethyl) -3-methylbutanoate
RID80748-01	Methyl 3- (chlorosulfonyl) -2-methylbutanoate
NCA67418-01	Ethyl (2S) -2-hydroxy-3-methylbutanoate
AAA07770-01	Ethyl 2-hydroxy-2-methylbutanoate
AAA81622-01	Ethyl 2-fluoro-3-hydroxy-3-methylbutanoate
TGA55819-01	Ethyl 2,2-difluoro-3-hydroxy-3-methylbutanoate

Catalog	Name
OR75969-01	Methyl 2-hydroxy-3-methylbutanoate
OR1001880-01	Methyl (R) -2-hydroxy-3-methylbutanoate
OR955620-01	(S) -Methyl 2-hydroxy-3-methylbutanoate
OR1026954-01	Methyl 3-Hydroxy-3-Methylbutanoate
GTR19271167-01	Methyl 2- (2-hydroxy-3-methylbutanamido) -3-methylbutanoate
TRC-M266000-250MG	(R)-(-)-Methyl-2-hydroxy-2-methylbutanoate
OR1041891-01	Methyl 2-amino-3-hydroxy-3-methylbutanoate hydrochloride
OR1102736-01	(R) -Methyl 2-amino-3-hydroxy-3-methylbutanoate hydrochloride
JH916396	(R) -METHYL 2-AMINO-3-HYDROXY-3-METHYLBUTANOATE HCL
OR98052	Methyl 3-methylbutanoate