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87656-91-5 | Benzo[f]quinolin-3(2H)-one, 1,4,5,6-tetrahydro-7,9-dimethoxy-
CAS No: 87656-91-5 Catalog No: AG008E45 MDL No:
Product Description
Catalog Number:
AG008E45
Chemical Name:
Benzo[f]quinolin-3(2H)-one, 1,4,5,6-tetrahydro-7,9-dimethoxy-
CAS Number:
87656-91-5
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
IUPAC Name:
7,9-dimethoxy-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
InChI:
InChI=1S/C15H17NO3/c1-18-9-7-12-10-4-6-15(17)16-13(10)5-3-11(12)14(8-9)19-2/h7-8H,3-6H2,1-2H3,(H,16,17)
InChI Key:
ACUDWFSLZBADIP-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1)C1=C(CC2)NC(=O)CC1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.305g/mol
Monoisotopic Mass:
259.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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