Methyl 3-vinylbenzoate

CAT: 0926-NBA38350Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-NBA38350Size:2.5 g

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CAS Number

38383-50-5

MDL Number

MFCD06203923

Smiles

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

Molecular Formula

C10H10O2

Molecular Weight

162.19 g/mol

Controlled

Chemical Information

Methyl 3-ethenylbenzoate

CAS Number	38383-50-5
PubChem CID	12541495
IUPAC Name	methyl 3-ethenylbenzoate
Molecular Formula	C10H10O2
Molecular Weight	162.18
XLogP	3.2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	175

SMILES

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

InChI

InChI=1S/C10H10O2/c1-3-8-5-4-6-9(7-8)10(11)12-2/h3-7H,1H2,2H3

InChIKey

MBKUHNGECMPIHH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 38383-50-5

CID: 12541495

Formula: C10H10O2

MW: 162.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.18
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	162.068079557
Monoisotopic Mass	162.068079557
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	175
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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