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131172-67-3 | 1H-Pyrrole-2-carboxylic acid, 1-ethenyl-5-(4-ethylphenyl)-
CAS No: 131172-67-3 Catalog No: AG000VNJ MDL No:MFCD01217350
Product Description
Catalog Number:
AG000VNJ
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 1-ethenyl-5-(4-ethylphenyl)-
CAS Number:
131172-67-3
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
MDL Number:
MFCD01217350
IUPAC Name:
1-ethenyl-5-(4-ethylphenyl)pyrrole-2-carboxylic acid
InChI:
InChI=1S/C15H15NO2/c1-3-11-5-7-12(8-6-11)13-9-10-14(15(17)18)16(13)4-2/h4-10H,2-3H2,1H3,(H,17,18)
InChI Key:
JCKJXCLFXLNOFD-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)c1ccc(n1C=C)C(=O)O
Properties
Complexity:
308
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 |
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