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87202-81-1 | Butanedioic acid, (2,3-dihydro-2-oxoimidazo[1,2-a]pyridin-3-yl)-
CAS No: 87202-81-1 Catalog No: AG004JYA MDL No:
Product Description
Catalog Number:
AG004JYA
Chemical Name:
Butanedioic acid, (2,3-dihydro-2-oxoimidazo[1,2-a]pyridin-3-yl)-
CAS Number:
87202-81-1
Molecular Formula:
C11H10N2O5
Molecular Weight:
250.2075
IUPAC Name:
2-(2-oxo-3H-imidazo[1,2-a]pyridin-3-yl)butanedioic acid
InChI:
InChI=1S/C11H10N2O5/c14-8(15)5-6(11(17)18)9-10(16)12-7-3-1-2-4-13(7)9/h1-4,6,9H,5H2,(H,14,15)(H,17,18)
InChI Key:
NKGNKJDYTQUFSQ-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C1C(=O)N=c2n1cccc2)C(=O)O
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.21g/mol
Monoisotopic Mass:
250.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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