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64648-02-8 | 4-Azabicyclo[7.3.1]trideca-1(13),9,11-trien-3-one, 11,12-dimethoxy-
CAS No: 64648-02-8 Catalog No: AG006RNT MDL No:
Product Description
Catalog Number:
AG006RNT
Chemical Name:
4-Azabicyclo[7.3.1]trideca-1(13),9,11-trien-3-one, 11,12-dimethoxy-
CAS Number:
64648-02-8
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
IUPAC Name:
11,12-dimethoxy-4-azabicyclo[7.3.1]trideca-1(12),9(13),10-trien-3-one
InChI:
InChI=1S/C14H19NO3/c1-17-12-8-10-5-3-4-6-15-13(16)9-11(7-10)14(12)18-2/h7-8H,3-6,9H2,1-2H3,(H,15,16)
InChI Key:
ALLCXYBGSXIELD-UHFFFAOYSA-N
SMILES:
COc1c2CC(=O)NCCCCc(c2)cc1OC
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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