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1501-39-9 | Propanedioic acid, 2-[(3,4-dihydro-4-methyl-3-oxo-2-quinoxalinyl)methyl]-
CAS No: 1501-39-9 Catalog No: AG001MBJ MDL No:
Product Description
Catalog Number:
AG001MBJ
Chemical Name:
Propanedioic acid, 2-[(3,4-dihydro-4-methyl-3-oxo-2-quinoxalinyl)methyl]-
CAS Number:
1501-39-9
Molecular Formula:
C13H12N2O5
Molecular Weight:
276.2448
IUPAC Name:
2-[(4-methyl-3-oxoquinoxalin-2-yl)methyl]propanedioic acid
InChI:
InChI=1S/C13H12N2O5/c1-15-10-5-3-2-4-8(10)14-9(11(15)16)6-7(12(17)18)13(19)20/h2-5,7H,6H2,1H3,(H,17,18)(H,19,20)
InChI Key:
JWZXCJUBVMTIDB-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(=O)O)Cc1nc2ccccc2n(c1=O)C
UNII:
7137IIY2Q8
NSC Number:
251946
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.075g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.248g/mol
Monoisotopic Mass:
276.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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