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19839-73-7 | 4H-Benzo[3,4]cyclohept[1,2-d]isoxazole, 5,6-dihydro-8,9-dimethoxy-
CAS No: 19839-73-7 Catalog No: AG002BGU MDL No:
Product Description
Catalog Number:
AG002BGU
Chemical Name:
4H-Benzo[3,4]cyclohept[1,2-d]isoxazole, 5,6-dihydro-8,9-dimethoxy-
CAS Number:
19839-73-7
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
12,13-dimethoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene
InChI:
InChI=1S/C14H15NO3/c1-16-12-6-9-4-3-5-10-8-15-18-14(10)11(9)7-13(12)17-2/h6-8H,3-5H2,1-2H3
InChI Key:
SIHZGYXYOMMOAZ-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCCc1c2onc1
NSC Number:
107339
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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