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89770-37-6 | Ethanone, 1-(3-cinnolinyl)-
CAS No: 89770-37-6 Catalog No: AG003YOG MDL No:
Product Description
Catalog Number:
AG003YOG
Chemical Name:
Ethanone, 1-(3-cinnolinyl)-
CAS Number:
89770-37-6
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
IUPAC Name:
1-cinnolin-3-ylethanone
InChI:
InChI=1S/C10H8N2O/c1-7(13)10-6-8-4-2-3-5-9(8)11-12-10/h2-6H,1H3
InChI Key:
WEVSAQABATXHJN-UHFFFAOYSA-N
SMILES:
CC(=O)c1nnc2c(c1)cccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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