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96712-45-7 | 1H-Imidazo[4,5-g]cinnoline(9CI)
CAS No: 96712-45-7 Catalog No: AG005T30 MDL No:
Product Description
Catalog Number:
AG005T30
Chemical Name:
1H-Imidazo[4,5-g]cinnoline(9CI)
CAS Number:
96712-45-7
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
IUPAC Name:
1H-imidazo[4,5-g]cinnoline
InChI:
InChI=1S/C9H6N4/c1-2-12-13-7-4-9-8(3-6(1)7)10-5-11-9/h1-5,13H
InChI Key:
KODLXBQGRJYBMG-UHFFFAOYSA-N
SMILES:
c1n[nH]c2c(c1)cc1c(c2)ncn1
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.175g/mol
Monoisotopic Mass:
170.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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