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203000-17-3 | 1H-Indole-2-carboxylic acid, 2,3,5,6-tetrahydro-5,6-dioxo-, (2R)-
CAS No: 203000-17-3 Catalog No: AG0028N1 MDL No:
Product Description
Catalog Number:
AG0028N1
Chemical Name:
1H-Indole-2-carboxylic acid, 2,3,5,6-tetrahydro-5,6-dioxo-, (2R)-
CAS Number:
203000-17-3
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
IUPAC Name:
(2R)-5,6-dioxo-2,3-dihydro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10H,1H2,(H,13,14)/t6-/m1/s1
InChI Key:
VJNCICVKUHKIIV-ZCFIWIBFSA-N
SMILES:
OC(=O)[C@@H]1NC2=CC(=O)C(=O)C=C2C1
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
193.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.158g/mol
Monoisotopic Mass:
193.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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