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24983-03-7 | 1H-[1,3]Benzodioxolo[5,6-a]cyclopenta[i]quinolizine (8CI,9CI)
CAS No: 24983-03-7 Catalog No: AG002Q3B MDL No:
Product Description
Catalog Number:
AG002Q3B
Chemical Name:
1H-[1,3]Benzodioxolo[5,6-a]cyclopenta[i]quinolizine (8CI,9CI)
CAS Number:
24983-03-7
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
IUPAC Name:
5,7-dioxa-13-azapentacyclo[11.7.0.01,17.02,10.04,8]icosa-2,4(8),9,11,14,17,19-heptaene
InChI:
InChI=1S/C17H13NO2/c1-3-13-4-2-7-18-8-5-12-9-15-16(20-11-19-15)10-14(12)17(13,18)6-1/h1-3,5-10H,4,11H2
InChI Key:
KYOWHDLGWHFKFD-UHFFFAOYSA-N
SMILES:
C1=CN2C3(C(=CC=C3)C1)c1cc3OCOc3cc1C=C2
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.296g/mol
Monoisotopic Mass:
263.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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