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28546-23-8 | 1H-Indole-7-carboxylic acid, 2,3-dihydro-3-hydroxy-2-oxo-
CAS No: 28546-23-8 Catalog No: AG002VO8 MDL No:
Product Description
Catalog Number:
AG002VO8
Chemical Name:
1H-Indole-7-carboxylic acid, 2,3-dihydro-3-hydroxy-2-oxo-
CAS Number:
28546-23-8
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
IUPAC Name:
3-hydroxy-2-oxo-1,3-dihydroindole-7-carboxylic acid
InChI:
InChI=1S/C9H7NO4/c11-7-4-2-1-3-5(9(13)14)6(4)10-8(7)12/h1-3,7,11H,(H,10,12)(H,13,14)
InChI Key:
RRMXUIUCRKQECQ-UHFFFAOYSA-N
SMILES:
OC1C(=O)Nc2c1cccc2C(=O)O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
193.158g/mol
Monoisotopic Mass:
193.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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