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1501-34-4 | 2-Quinoxalinebutanoic acid, 3,4-dihydro-4-methyl-3-oxo-
CAS No: 1501-34-4 Catalog No: AG001MC1 MDL No:
Product Description
Catalog Number:
AG001MC1
Chemical Name:
2-Quinoxalinebutanoic acid, 3,4-dihydro-4-methyl-3-oxo-
CAS Number:
1501-34-4
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
4-(4-methyl-3-oxoquinoxalin-2-yl)butanoic acid
InChI:
InChI=1S/C13H14N2O3/c1-15-11-7-3-2-5-9(11)14-10(13(15)18)6-4-8-12(16)17/h2-3,5,7H,4,6,8H2,1H3,(H,16,17)
InChI Key:
TYPMCOYDZFBCLL-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1nc2ccccc2n(c1=O)C
NSC Number:
266127
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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