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858479-18-2 | 5,7-Quinoxalinediol
CAS No: 858479-18-2 Catalog No: AG004XE2 MDL No:MFCD16878336
Product Description
Catalog Number:
AG004XE2
Chemical Name:
5,7-Quinoxalinediol
CAS Number:
858479-18-2
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD16878336
IUPAC Name:
quinoxaline-5,7-diol
InChI:
InChI=1S/C8H6N2O2/c11-5-3-6-8(7(12)4-5)10-2-1-9-6/h1-4,11-12H
InChI Key:
PBBMVJLZTCRZPC-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c2c(c1)nccn2
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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