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155997-47-0 | 1H-Indole-7-carboxylic acid, 3-amino-2,3-dihydro-2-oxo-
CAS No: 155997-47-0 Catalog No: AG001OE3 MDL No:
Product Description
Catalog Number:
AG001OE3
Chemical Name:
1H-Indole-7-carboxylic acid, 3-amino-2,3-dihydro-2-oxo-
CAS Number:
155997-47-0
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
IUPAC Name:
3-amino-2-oxo-1,3-dihydroindole-7-carboxylic acid
InChI:
InChI=1S/C9H8N2O3/c10-6-4-2-1-3-5(9(13)14)7(4)11-8(6)12/h1-3,6H,10H2,(H,11,12)(H,13,14)
InChI Key:
XARIQWZVPVLNDT-UHFFFAOYSA-N
SMILES:
NC1C(=O)Nc2c1cccc2C(=O)O
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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