Home Other Building Blocks 3-Vinyl benzoic acid ethyl ester

3-Vinyl benzoic acid ethyl ester

CAS No.:
33745-48-1
Catalog Number:
AG00C6VV
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$313
- +
Product Description
Catalog Number:
AG00C6VV
Chemical Name:
3-Vinyl benzoic acid ethyl ester
CAS Number:
33745-48-1
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD06204762
IUPAC Name:
ethyl 3-ethenylbenzoate
InChI:
InChI=1S/C11H12O2/c1-3-9-6-5-7-10(8-9)11(12)13-4-2/h3,5-8H,1,4H2,2H3
InChI Key:
POOPYNNRHGHNAA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1)C=C
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties