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61479-36-5 | 3,4-dihydro-1H-pyrido[3,2-b]azepin-2(5H)-one
CAS No: 61479-36-5 Catalog No: AG00EJLC MDL No:
Product Description
Catalog Number:
AG00EJLC
Chemical Name:
3,4-dihydro-1H-pyrido[3,2-b]azepin-2(5H)-one
CAS Number:
61479-36-5
IUPAC Name:
5,7,8,9-tetrahydropyrido[3,2-b]azepin-6-one
InChI:
InChI=1S/C9H10N2O/c12-9-5-1-3-7-8(11-9)4-2-6-10-7/h2,4,6H,1,3,5H2,(H,11,12)
InChI Key:
FNDNCBMOHMAWRH-UHFFFAOYSA-N
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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