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112514-14-4 | Benzo[g]quinoline-2,9-dione, 1,3,4,6,7,8-hexahydro-, 9-oxime
CAS No: 112514-14-4 Catalog No: AG007T41 MDL No:
Product Description
Catalog Number:
AG007T41
Chemical Name:
Benzo[g]quinoline-2,9-dione, 1,3,4,6,7,8-hexahydro-, 9-oxime
CAS Number:
112514-14-4
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
IUPAC Name:
9-hydroxyimino-1,3,4,6,7,8-hexahydrobenzo[g]quinolin-2-one
InChI:
InChI=1S/C13H14N2O2/c16-13-5-4-9-6-8-2-1-3-11(15-17)10(8)7-12(9)14-13/h6-7,17H,1-5H2,(H,14,16)
InChI Key:
GJTPXNPKFBJIRL-UHFFFAOYSA-N
SMILES:
ON=C1CCCc2c1cc1NC(=O)CCc1c2
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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