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522-96-3 | 12H-Benzo(a)-1,3-benzodioxolo(4,5-g)quinolizine, 6,6a,11,14-tetrahydro-8,9-dimethoxy-
CAS No: 522-96-3 Catalog No: AG006VDV MDL No:
Product Description
Catalog Number:
AG006VDV
Chemical Name:
12H-Benzo(a)-1,3-benzodioxolo(4,5-g)quinolizine, 6,6a,11,14-tetrahydro-8,9-dimethoxy-
CAS Number:
522-96-3
Molecular Formula:
C20H21NO4
Molecular Weight:
339.3850
IUPAC Name:
16,17-dimethoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaene
InChI:
InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3
InChI Key:
UWEHVAXMSWXKRW-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCN1C2Cc2ccc3c(c2C1)OCO3
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.147g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.391g/mol
Monoisotopic Mass:
339.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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