Methyl 2- (hydroxy (phenyl) methyl) acrylate

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CAS Number

18020-59-2

Smiles

C1cccc (c1) C (C (=C) C (=O) OC) O

Chemical Information

Methyl 3-Hydroxy-2-methylene-3-phenylpropionate

CAS Number	18020-59-2
PubChem CID	9942369
IUPAC Name	methyl 2-[hydroxy(phenyl)methyl]prop-2-enoate
Molecular Formula	C11H12O3
Molecular Weight	192.21
XLogP	1.5
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	217

SMILES

COC(=O)C(=C)C(C1=CC=CC=C1)O

InChI

InChI=1S/C11H12O3/c1-8(11(13)14-2)10(12)9-6-4-3-5-7-9/h3-7,10,12H,1H2,2H3

InChIKey

VZGOKIHNKHAORQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18020-59-2

CID: 9942369

Formula: C11H12O3

MW: 192.21

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	192.21
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	192.078644241
Monoisotopic Mass	192.078644241
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	217
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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Catalog	Name
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FM133555-01	Methyl (2E) -3- (4-hydroxy-3-methoxyphenyl) acrylate
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