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1501-38-8 | 2-Quinoxalinepropanoic acid, 3,4-dihydro-4-methyl-3-oxo-
CAS No: 1501-38-8 Catalog No: AG001MBK MDL No:MFCD00665740
Product Description
Catalog Number:
AG001MBK
Chemical Name:
2-Quinoxalinepropanoic acid, 3,4-dihydro-4-methyl-3-oxo-
CAS Number:
1501-38-8
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD00665740
IUPAC Name:
3-(4-methyl-3-oxoquinoxalin-2-yl)propanoic acid
InChI:
InChI=1S/C12H12N2O3/c1-14-10-5-3-2-4-8(10)13-9(12(14)17)6-7-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)
InChI Key:
JIXBAXULUJSRDR-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1nc2ccccc2n(c1=O)C
NSC Number:
75194
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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