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162135-93-5 | 5-Quinoxalinecarboxylic acid, 3-phenyl-
CAS No: 162135-93-5 Catalog No: AG001SS5 MDL No:MFCD06660374
Product Description
Catalog Number:
AG001SS5
Chemical Name:
5-Quinoxalinecarboxylic acid, 3-phenyl-
CAS Number:
162135-93-5
Molecular Formula:
C15H10N2O2
Molecular Weight:
250.2521
MDL Number:
MFCD06660374
IUPAC Name:
3-phenylquinoxaline-5-carboxylic acid
InChI:
InChI=1S/C15H10N2O2/c18-15(19)11-7-4-8-12-14(11)17-13(9-16-12)10-5-2-1-3-6-10/h1-9H,(H,18,19)
InChI Key:
OIVGUXVBKAIKBI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1nc(cn2)c1ccccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.257g/mol
Monoisotopic Mass:
250.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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