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157708-83-3 | 1H-Pyrrolo[3,4-f]quinoxaline (9CI)
CAS No: 157708-83-3 Catalog No: AG001PNV MDL No:
Product Description
Catalog Number:
AG001PNV
Chemical Name:
1H-Pyrrolo[3,4-f]quinoxaline (9CI)
CAS Number:
157708-83-3
Molecular Formula:
C10H7N3
Molecular Weight:
169.1827
IUPAC Name:
4H-pyrrolo[3,4-f]quinoxaline
InChI:
InChI=1S/C10H7N3/c1-2-9-10(13-4-3-12-9)8-6-11-5-7(1)8/h1-6,12H
InChI Key:
LBWHTVSNYHYOIX-UHFFFAOYSA-N
SMILES:
c1cnc2c([nH]1)c1cncc1cc2
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.187g/mol
Monoisotopic Mass:
169.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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