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119433-58-8 | 9aH-Imidazo[4,5-g]indolizine-5,9a-dicarboxylic acid, 1,4,5,7,8,9-hexahydro-7-oxo-, (5S,9aR)-
CAS No: 119433-58-8 Catalog No: AG000IQI MDL No:
Product Description
Catalog Number:
AG000IQI
Chemical Name:
9aH-Imidazo[4,5-g]indolizine-5,9a-dicarboxylic acid, 1,4,5,7,8,9-hexahydro-7-oxo-, (5S,9aR)-
CAS Number:
119433-58-8
Molecular Formula:
C11H11N3O5
Molecular Weight:
265.2221
IUPAC Name:
7-oxo-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizine-5,9a-dicarboxylic acid
InChI:
InChI=1S/C11H11N3O5/c15-7-1-2-11(10(18)19)8-5(12-4-13-8)3-6(9(16)17)14(7)11/h4,6H,1-3H2,(H,12,13)(H,16,17)(H,18,19)
InChI Key:
LSPVHHUGRPIBDR-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1Cc2nc[nH]c2[C@@]2(N1C(=O)CC2)C(=O)O
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
265.225g/mol
Monoisotopic Mass:
265.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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