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14370-71-9 | Acetic acid, 2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-2-hydroxy-
CAS No: 14370-71-9 Catalog No: AG001I86 MDL No:
Product Description
Catalog Number:
AG001I86
Chemical Name:
Acetic acid, 2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-2-hydroxy-
CAS Number:
14370-71-9
Molecular Formula:
C10H7NO4
Molecular Weight:
205.1669
IUPAC Name:
2-(2-hydroxy-1H-indol-3-yl)-2-oxoacetic acid
InChI:
InChI=1S/C10H7NO4/c12-8(10(14)15)7-5-3-1-2-4-6(5)11-9(7)13/h1-4,11,13H,(H,14,15)
InChI Key:
AXSAUKZXDCMVJI-UHFFFAOYSA-N
SMILES:
OC(=O)C(=C1C(=O)Nc2c1cccc2)O
NSC Number:
118821
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.169g/mol
Monoisotopic Mass:
205.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Design of novel bioisosteres of beta-diketo acid inhibitors of HIV-1 integrase. | Antiviral chemistry & chemotherapy 20050101 |
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