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122049-90-5 | 1H-Furo[4,3,2-de]cinnoline (9CI)
CAS No: 122049-90-5 Catalog No: AG0016OP MDL No:
Product Description
Catalog Number:
AG0016OP
Chemical Name:
1H-Furo[4,3,2-de]cinnoline (9CI)
CAS Number:
122049-90-5
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
IUPAC Name:
2-oxa-6,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,8(12),9-pentaene
InChI:
InChI=1S/C9H6N2O/c1-2-7-9-6(4-10-11-7)5-12-8(9)3-1/h1-5,11H
InChI Key:
MZPUOYZCHCUKGV-UHFFFAOYSA-N
SMILES:
c1cc2occ3c2c(c1)[nH]nc3
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.16g/mol
Monoisotopic Mass:
158.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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