Name: Name:2-cyano-3-[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid
Brand: Angene
SKU: AG019J85
Rating: 90 (10 reviews)

2-cyano-3-[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid

CAS No.:

743440-56-4

Catalog Number:

AG019J85

Molecular Formula:

C17H16N2O2

Molecular Weight:

280.3211

Catalog Number:

AG019J85

Chemical Name:

2-cyano-3-[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid

CAS Number:

743440-56-4

Molecular Formula:

C17H16N2O2

Molecular Weight:

280.3211

MDL Number:

MFCD07287078

IUPAC Name:

2-cyano-3-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]prop-2-enoic acid

InChI:

InChI=1S/C17H16N2O2/c1-11-6-4-5-7-16(11)19-12(2)8-14(13(19)3)9-15(10-18)17(20)21/h4-9H,1-3H3,(H,20,21)

InChI Key:

VWXDPCYQVFSNTR-UHFFFAOYSA-N

SMILES:

N#CC(=Cc1cc(n(c1C)c1ccccc1C)C)C(=O)O

Complexity:

476

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

280.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

280.327g/mol

Monoisotopic Mass:

280.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4