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Methyl 4-vinylbenzoate

CAT: 1266-JH52476Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH52476Size:1 Each
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CAS Number
1076-96-6
Stability
Stable. Incompatible with oxidizing agents, acids, bases, halogens, metal salts. Protect from moisture. Highly flammable.
Molecular Formula
C10H10O2
Molecular Weight
162.19
Product Name Synonym
Methyl 4-ethenylbenzoate
Physical Properties
White to light beige crystalline powder
Safety Statements
S26
Density
1.058g/cm3
Flash Point
>230 °F
Melting Point
32-36oC (lit.)

Chemical Information

Methyl 4-ethenylbenzoate
CAS Number1076-96-6
PubChem CID583124
IUPAC Namemethyl 4-ethenylbenzoate
Molecular FormulaC10H10O2
Molecular Weight162.18
XLogP3.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity167
SMILES
COC(=O)C1=CC=C(C=C1)C=C
InChI
InChI=1S/C10H10O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h3-7H,1H2,2H3
InChIKey
NUMHUJZXKZKUBN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 4-ethenylbenzoate
CAS: 1076-96-6
CID: 583124
Formula: C10H10O2
MW: 162.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.18
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass162.068079557
Monoisotopic Mass162.068079557
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity167
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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