Name: Name:2-Propenoic acid, 2-cyano-3-[4-(phenylmethoxy)phenyl]-
Brand: Angene
SKU: AG001TIK
Rating: 90 (10 reviews)

2-Propenoic acid, 2-cyano-3-[4-(phenylmethoxy)phenyl]-

CAS No.:

162882-36-2

Catalog Number:

AG001TIK

Molecular Formula:

C17H13NO3

Molecular Weight:

279.2900

Catalog Number:

AG001TIK

Chemical Name:

2-Propenoic acid, 2-cyano-3-[4-(phenylmethoxy)phenyl]-

CAS Number:

162882-36-2

Molecular Formula:

C17H13NO3

Molecular Weight:

279.2900

MDL Number:

MFCD01313925

IUPAC Name:

2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoic acid

InChI:

InChI=1S/C17H13NO3/c18-11-15(17(19)20)10-13-6-8-16(9-7-13)21-12-14-4-2-1-3-5-14/h1-10H,12H2,(H,19,20)

InChI Key:

YQASXVJGRZKXLK-UHFFFAOYSA-N

SMILES:

N#CC(=Cc1ccc(cc1)OCc1ccccc1)C(=O)O

Complexity:

421

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.295g/mol

Monoisotopic Mass:

279.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3