200,000+ products from a single source!
sales@angenechem.com
131172-70-8 | 1H-Pyrrole-2-carboxylic acid, 1-ethenyl-4-ethyl-5-phenyl-
CAS No: 131172-70-8 Catalog No: AG000VNI MDL No:MFCD01217349
Product Description
Catalog Number:
AG000VNI
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 1-ethenyl-4-ethyl-5-phenyl-
CAS Number:
131172-70-8
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
MDL Number:
MFCD01217349
IUPAC Name:
1-ethenyl-4-ethyl-5-phenylpyrrole-2-carboxylic acid
InChI:
InChI=1S/C15H15NO2/c1-3-11-10-13(15(17)18)16(4-2)14(11)12-8-6-5-7-9-12/h4-10H,2-3H2,1H3,(H,17,18)
InChI Key:
FLAXOPKZWSUVJN-UHFFFAOYSA-N
SMILES:
CCc1cc(n(c1c1ccccc1)C=C)C(=O)O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.29g/mol
Monoisotopic Mass:
241.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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.