Methyl 3-hydroxy-2-methylenebutanoate

CAT: 0127-OR1075008-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1075008-01Size:100 mg

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CAS Number

18020-65-0

MDL Number

MFCD00192302

Purity

98%

Smiles

CC(O)C(C(OC)=O)=C

Chemical Information

Methyl 3-hydroxy-2-methylen-butanoat

CAS Number	18020-65-0
PubChem CID	5080248
IUPAC Name	methyl 3-hydroxy-2-methylidenebutanoate
Molecular Formula	C6H10O3
Molecular Weight	130.14
XLogP	0.2
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	128

SMILES

CC(C(=C)C(=O)OC)O

InChI

InChI=1S/C6H10O3/c1-4(5(2)7)6(8)9-3/h5,7H,1H2,2-3H3

InChIKey

VLCAYQIMSMPEBW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18020-65-0

CID: 5080248

Formula: C6H10O3

MW: 130.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.14
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	130.062994177
Monoisotopic Mass	130.062994177
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	128
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
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