200,000+ products from a single source!
sales@angenechem.com
131172-59-3 | 1H-Pyrrole-2-carboxylic acid, 5-(4-methylphenyl)-
CAS No: 131172-59-3 Catalog No: AG000VNM MDL No:MFCD02223245
Product Description
Catalog Number:
AG000VNM
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 5-(4-methylphenyl)-
CAS Number:
131172-59-3
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD02223245
IUPAC Name:
5-(4-methylphenyl)-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C12H11NO2/c1-8-2-4-9(5-3-8)10-6-7-11(13-10)12(14)15/h2-7,13H,1H3,(H,14,15)
InChI Key:
GUGAOFSHCGOMMW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1ccc([nH]1)C(=O)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.