Name: Name:2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid
Brand: Angene
SKU: AG019IV9
Rating: 90 (10 reviews)

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

CAS No.:

736949-16-9

Catalog Number:

AG019IV9

Molecular Formula:

C18H18N2O3

Molecular Weight:

310.3471

Catalog Number:

AG019IV9

Chemical Name:

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

CAS Number:

736949-16-9

Molecular Formula:

C18H18N2O3

Molecular Weight:

310.3471

MDL Number:

MFCD14548345

IUPAC Name:

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

InChI:

InChI=1S/C18H18N2O3/c1-4-23-17-7-5-16(6-8-17)20-12(2)9-14(13(20)3)10-15(11-19)18(21)22/h5-10H,4H2,1-3H3,(H,21,22)

InChI Key:

GHLHRFMRFPOJLT-UHFFFAOYSA-N

SMILES:

CCOc1ccc(cc1)n1c(C)cc(c1C)C=C(C(=O)O)C#N

Complexity:

500

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

310.132g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

310.353g/mol

Monoisotopic Mass:

310.132g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3