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240-45-9 | 14H-Benzo[a]-1,3-benzodioxolo[4,5-g]quinolizine
CAS No: 240-45-9 Catalog No: AG006XLN MDL No:
Product Description
Catalog Number:
AG006XLN
Chemical Name:
14H-Benzo[a]-1,3-benzodioxolo[4,5-g]quinolizine
CAS Number:
240-45-9
Molecular Formula:
C18H13NO2
Molecular Weight:
275.3013
IUPAC Name:
5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,12,14,16,18,20-octaene
InChI:
InChI=1S/C18H13NO2/c1-2-4-14-12(3-1)7-8-19-10-15-13(9-16(14)19)5-6-17-18(15)21-11-20-17/h1-9H,10-11H2
InChI Key:
DITPNBPFLFPELP-UHFFFAOYSA-N
SMILES:
C1Oc2c(O1)c1Cn3ccc4c(c3=Cc1cc2)cccc4
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.307g/mol
Monoisotopic Mass:
275.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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