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104465-10-3 | Benzo[f]quinolin-3(2H)-one, 1,4,5,6-tetrahydro-7,10-dimethoxy-
CAS No: 104465-10-3 Catalog No: AG007Y0H MDL No:
Product Description
Catalog Number:
AG007Y0H
Chemical Name:
Benzo[f]quinolin-3(2H)-one, 1,4,5,6-tetrahydro-7,10-dimethoxy-
CAS Number:
104465-10-3
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
IUPAC Name:
7,10-dimethoxy-2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
InChI:
InChI=1S/C15H17NO3/c1-18-12-6-7-13(19-2)15-9-4-8-14(17)16-11(9)5-3-10(12)15/h6-7H,3-5,8H2,1-2H3,(H,16,17)
InChI Key:
DQBBPMAKHTWTMM-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1C1=C(CC2)NC(=O)CC1)OC
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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