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1501-70-8 | 2-Quinoxalinepentanoic acid, 3,4-dihydro-3-oxo-
CAS No: 1501-70-8 Catalog No: AG001MBG MDL No:
Product Description
Catalog Number:
AG001MBG
Chemical Name:
2-Quinoxalinepentanoic acid, 3,4-dihydro-3-oxo-
CAS Number:
1501-70-8
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
5-(3-oxo-4H-quinoxalin-2-yl)pentanoic acid
InChI:
InChI=1S/C13H14N2O3/c16-12(17)8-4-3-7-11-13(18)15-10-6-2-1-5-9(10)14-11/h1-2,5-6H,3-4,7-8H2,(H,15,18)(H,16,17)
InChI Key:
WULBAGPRHIQARO-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCc1nc2ccccc2[nH]c1=O
NSC Number:
86888
Properties
Complexity:
365
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:
2
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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