Name: Name:2-Propenoic acid, 2-cyano-3-(4-methoxyphenyl)-, methyl ester
Brand: Angene
SKU: AG006RCY
Rating: 90 (10 reviews)

2-Propenoic acid, 2-cyano-3-(4-methoxyphenyl)-, methyl ester

CAS No.:

65576-66-1

Catalog Number:

AG006RCY

Molecular Formula:

C12H11NO3

Molecular Weight:

217.2206

Catalog Number:

AG006RCY

Chemical Name:

2-Propenoic acid, 2-cyano-3-(4-methoxyphenyl)-, methyl ester

CAS Number:

65576-66-1

Molecular Formula:

C12H11NO3

Molecular Weight:

217.2206

MDL Number:

MFCD00630908

IUPAC Name:

methyl 2-cyano-3-(4-methoxyphenyl)prop-2-enoate

InChI:

InChI=1S/C12H11NO3/c1-15-11-5-3-9(4-6-11)7-10(8-13)12(14)16-2/h3-7H,1-2H3

InChI Key:

MCFCPVVFVXSZSK-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)C=C(C(=O)OC)C#N

Complexity:

318

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

217.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

217.224g/mol

Monoisotopic Mass:

217.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1