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849467-97-6 | 1H-Indole-5-carboxylic acid, 6-[(carboxycarbonyl)amino]-1-methyl-
CAS No: 849467-97-6 Catalog No: AG004R8A MDL No:
Product Description
Catalog Number:
AG004R8A
Chemical Name:
1H-Indole-5-carboxylic acid, 6-[(carboxycarbonyl)amino]-1-methyl-
CAS Number:
849467-97-6
Molecular Formula:
C12H10N2O5
Molecular Weight:
262.2182
IUPAC Name:
1-methyl-6-(oxaloamino)indole-5-carboxylic acid
InChI:
InChI=1S/C12H10N2O5/c1-14-3-2-6-4-7(11(16)17)8(5-9(6)14)13-10(15)12(18)19/h2-5H,1H3,(H,13,15)(H,16,17)(H,18,19)
InChI Key:
NOANVURCBNIBJS-UHFFFAOYSA-N
SMILES:
O=C(C(=O)O)Nc1cc2n(C)ccc2cc1C(=O)O
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
262.221g/mol
Monoisotopic Mass:
262.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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