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89739-67-3 | 1H-3-Benzazepine, 2,3,4,5-tetrahydro-7,8-dimethoxy-1-phenoxy-
CAS No: 89739-67-3 Catalog No: AG004169 MDL No:
Product Description
Catalog Number:
AG004169
Chemical Name:
1H-3-Benzazepine, 2,3,4,5-tetrahydro-7,8-dimethoxy-1-phenoxy-
CAS Number:
89739-67-3
Molecular Formula:
C18H21NO3
Molecular Weight:
299.3642
IUPAC Name:
7,8-dimethoxy-5-phenoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
InChI:
InChI=1S/C18H21NO3/c1-20-16-10-13-8-9-19-12-18(15(13)11-17(16)21-2)22-14-6-4-3-5-7-14/h3-7,10-11,18-19H,8-9,12H2,1-2H3
InChI Key:
MAIIKQNCBVQRBM-UHFFFAOYSA-N
SMILES:
COc1cc2C(CNCCc2cc1OC)Oc1ccccc1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.37g/mol
Monoisotopic Mass:
299.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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