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309270-57-3 | 1H-Pyrrole-1-acetic acid, 3-acetyl-2-(4-fluorophenyl)-2,5-dihydro-4-hydroxy-5-oxo-
CAS No: 309270-57-3 Catalog No: AG0031OC MDL No:MFCD01142747
Product Description
Catalog Number:
AG0031OC
Chemical Name:
1H-Pyrrole-1-acetic acid, 3-acetyl-2-(4-fluorophenyl)-2,5-dihydro-4-hydroxy-5-oxo-
CAS Number:
309270-57-3
Molecular Formula:
C14H12FNO5
Molecular Weight:
293.2472
MDL Number:
MFCD01142747
IUPAC Name:
2-[3-acetyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid
InChI:
InChI=1S/C14H12FNO5/c1-7(17)11-12(8-2-4-9(15)5-3-8)16(6-10(18)19)14(21)13(11)20/h2-5,12,20H,6H2,1H3,(H,18,19)
InChI Key:
DTPGSPZPVXHQQY-UHFFFAOYSA-N
SMILES:
OC(=O)CN1C(c2ccc(cc2)F)C(=C(C1=O)O)C(=O)C
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.07g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.25g/mol
Monoisotopic Mass:
293.07g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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