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1501-00-4 | 2-Quinoxalinepropanoic acid, 3-methyl-
CAS No: 1501-00-4 Catalog No: AG001MC9 MDL No:
Product Description
Catalog Number:
AG001MC9
Chemical Name:
2-Quinoxalinepropanoic acid, 3-methyl-
CAS Number:
1501-00-4
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
3-(3-methylquinoxalin-2-yl)propanoic acid
InChI:
InChI=1S/C12H12N2O2/c1-8-9(6-7-12(15)16)14-11-5-3-2-4-10(11)13-8/h2-5H,6-7H2,1H3,(H,15,16)
InChI Key:
LHYSVUPJHRIDPD-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1nc2ccccc2nc1C
NSC Number:
86891
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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