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88609-46-5 | 5H-Pyrido[2,3-c]azepine, 6,9-dimethoxy-
CAS No: 88609-46-5 Catalog No: AG004A62 MDL No:
Product Description
Catalog Number:
AG004A62
Chemical Name:
5H-Pyrido[2,3-c]azepine, 6,9-dimethoxy-
CAS Number:
88609-46-5
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
6,9-dimethoxy-5H-pyrido[2,3-c]azepine
InChI:
InChI=1S/C11H12N2O2/c1-14-9-6-8-4-3-5-12-10(8)11(15-2)13-7-9/h3-5,7H,6H2,1-2H3
InChI Key:
KDMGPPLCTZILRQ-UHFFFAOYSA-N
SMILES:
COC1=CN=C(c2c(C1)cccn2)OC
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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