Name: Name:2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid
Brand: Angene
SKU: AG019IUA
Rating: 90 (10 reviews)

2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid

CAS No.:

736949-03-4

Catalog Number:

AG019IUA

Molecular Formula:

C17H16N2O3

Molecular Weight:

296.3205

Catalog Number:

AG019IUA

Chemical Name:

2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid

CAS Number:

736949-03-4

Molecular Formula:

C17H16N2O3

Molecular Weight:

296.3205

MDL Number:

MFCD06654994

IUPAC Name:

2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid

InChI:

InChI=1S/C17H16N2O3/c1-11-8-13(9-14(10-18)17(20)21)12(2)19(11)15-4-6-16(22-3)7-5-15/h4-9H,1-3H3,(H,20,21)

InChI Key:

JIVABGGYCQYCOU-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)n1c(C)cc(c1C)C=C(C(=O)O)C#N

Complexity:

485

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

296.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

296.326g/mol

Monoisotopic Mass:

296.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: