Name: Name:2-Propenoic acid, 2-cyano-3-[4-(dimethylamino)phenyl]-
Brand: Angene
SKU: AG00IA9Z
Rating: 90 (10 reviews)

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

CAS No.:

57711-73-6

Catalog Number:

AG00IA9Z

Molecular Formula:

C12H12N2O2

Molecular Weight:

216.2359

Catalog Number:

AG00IA9Z

Chemical Name:

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

CAS Number:

57711-73-6

Molecular Formula:

C12H12N2O2

Molecular Weight:

216.2359

MDL Number:

MFCD00453346

IUPAC Name:

2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoic acid

InChI:

InChI=1S/C12H12N2O2/c1-14(2)11-5-3-9(4-6-11)7-10(8-13)12(15)16/h3-7H,1-2H3,(H,15,16)

InChI Key:

CXZXLLVNQYUMAW-UHFFFAOYSA-N

SMILES:

CN(c1ccc(cc1)C=C(C(=O)O)C#N)C

Complexity:

330

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

216.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

216.24g/mol

Monoisotopic Mass:

216.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9