200,000+ products from a single source!
sales@angenechem.com
88571-45-3 | 1H-Pyrrole-3-carboxylic acid, 4,5-dihydro-2,4-dimethyl-5-oxo-1-phenyl-
CAS No: 88571-45-3 Catalog No: AG004BVO MDL No:
Product Description
Catalog Number:
AG004BVO
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 4,5-dihydro-2,4-dimethyl-5-oxo-1-phenyl-
CAS Number:
88571-45-3
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
3,5-dimethyl-2-oxo-1-phenyl-3H-pyrrole-4-carboxylic acid
InChI:
InChI=1S/C13H13NO3/c1-8-11(13(16)17)9(2)14(12(8)15)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,16,17)
InChI Key:
LWCZIMQFNSBIAE-UHFFFAOYSA-N
SMILES:
O=C1C(C)C(=C(N1c1ccccc1)C)C(=O)O
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
© 2019 Angene International Limited. All rights Reserved.