Methyl L- (S) -b-Hydroxyisobutanoate

CAT: 0926-FM10850-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-FM10850-01Size:0.5 g

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CAS Number

80657-57-4

Smiles

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

Molecular Formula

C5H10O3

Molecular Weight

118.13 g/mol

Controlled

Chemical Information

methyl (2S)-3-hydroxy-2-methylpropanoate

CAS Number	80657-57-4
PubChem CID	10192563
IUPAC Name	methyl (2S)-3-hydroxy-2-methylpropanoate
Molecular Formula	C5H10O3
Molecular Weight	118.13
XLogP	-0.1
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	79

SMILES

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

InChI

InChI=1S/C5H10O3/c1-4(3-6)5(7)8-2/h4,6H,3H2,1-2H3/t4-/m0/s1

InChIKey

ATCCIZURPPEVIZ-BYPYZUCNSA-N

Chemical Structure

2D Structure

CAS: 80657-57-4

CID: 10192563

Formula: C5H10O3

MW: 118.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	118.13
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	118.062994177
Monoisotopic Mass	118.062994177
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	79.7
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

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