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128843-46-9 | 2-Propenoic acid, 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl)-, (E)- (9CI)
CAS No: 128843-46-9 Catalog No: AG000YEU MDL No:MFCD03791143
Product Description
Catalog Number:
AG000YEU
Chemical Name:
2-Propenoic acid, 3-(4-benzoyl-1-methyl-1H-pyrrol-2-yl)-, (E)- (9CI)
CAS Number:
128843-46-9
Molecular Formula:
C15H13NO3
Molecular Weight:
255.2686
MDL Number:
MFCD03791143
IUPAC Name:
(E)-3-(4-benzoyl-1-methylpyrrol-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C15H13NO3/c1-16-10-12(9-13(16)7-8-14(17)18)15(19)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/b8-7+
InChI Key:
UNTMSWHXFUXDFN-BQYQJAHWSA-N
SMILES:
OC(=O)/C=C/c1cc(cn1C)C(=O)c1ccccc1
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
255.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.273g/mol
Monoisotopic Mass:
255.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Synthesis and antimicrobial and cytotoxic activities of pyrrole-containing analogues of trichostatin A. | Journal of medicinal chemistry 19901001 |
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