200,000+ products from a single source!
sales@angenechem.com
894074-69-2 | 1H-Pyrrole-3-carboxylicacid, 4-(4-cyanophenyl)-5-methyl-2-propyl-
CAS No: 894074-69-2 Catalog No: AG003VWJ MDL No:
Product Description
Catalog Number:
AG003VWJ
Chemical Name:
1H-Pyrrole-3-carboxylicacid, 4-(4-cyanophenyl)-5-methyl-2-propyl-
CAS Number:
894074-69-2
Molecular Formula:
C16H16N2O2
Molecular Weight:
268.3104
IUPAC Name:
4-(4-cyanophenyl)-5-methyl-2-propyl-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C16H16N2O2/c1-3-4-13-15(16(19)20)14(10(2)18-13)12-7-5-11(9-17)6-8-12/h5-8,18H,3-4H2,1-2H3,(H,19,20)
InChI Key:
NQXYYIRCQXLWNA-UHFFFAOYSA-N
SMILES:
CCCc1[nH]c(c(c1C(=O)O)c1ccc(cc1)C#N)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.316g/mol
Monoisotopic Mass:
268.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.