Name: Name:1-(4-cyanophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Brand: Angene
SKU: AG01AAEY
Rating: 90 (10 reviews)

1-(4-cyanophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

CAS No.:

953888-81-8

Catalog Number:

AG01AAEY

Molecular Formula:

C14H12N2O2

Molecular Weight:

240.2573

Catalog Number:

AG01AAEY

Chemical Name:

1-(4-cyanophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

CAS Number:

953888-81-8

Molecular Formula:

C14H12N2O2

Molecular Weight:

240.2573

MDL Number:

MFCD09729345

IUPAC Name:

1-(4-cyanophenyl)-2,5-dimethylpyrrole-3-carboxylic acid

InChI:

InChI=1S/C14H12N2O2/c1-9-7-13(14(17)18)10(2)16(9)12-5-3-11(8-15)4-6-12/h3-7H,1-2H3,(H,17,18)

InChI Key:

ORSXGNINDOCEIA-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)n1c(C)cc(c1C)C(=O)O

Complexity:

365

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

240.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

240.262g/mol

Monoisotopic Mass:

240.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4