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81675-05-0 | 5H-Pyrido[2,3-c]azepine, 9-methoxy-
CAS No: 81675-05-0 Catalog No: AG0051CD MDL No:
Product Description
Catalog Number:
AG0051CD
Chemical Name:
5H-Pyrido[2,3-c]azepine, 9-methoxy-
CAS Number:
81675-05-0
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
IUPAC Name:
9-methoxy-5H-pyrido[2,3-c]azepine
InChI:
InChI=1S/C10H10N2O/c1-13-10-9-8(4-2-6-11-9)5-3-7-12-10/h2-4,6-7H,5H2,1H3
InChI Key:
MWBHPNHKIUZNIE-UHFFFAOYSA-N
SMILES:
COC1=NC=CCc2c1nccc2
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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