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61479-38-7 | 2-methyl-8,9-dihydro-5H-pyrido[3,2-b]azepin-6(7H)-one
CAS No: 61479-38-7 Catalog No: AG00EJKQ MDL No:
Product Description
Catalog Number:
AG00EJKQ
Chemical Name:
2-methyl-8,9-dihydro-5H-pyrido[3,2-b]azepin-6(7H)-one
CAS Number:
61479-38-7
IUPAC Name:
2-methyl-5,7,8,9-tetrahydropyrido[3,2-b]azepin-6-one
InChI:
InChI=1S/C10H12N2O/c1-7-5-6-9-8(11-7)3-2-4-10(13)12-9/h5-6H,2-4H2,1H3,(H,12,13)
InChI Key:
LDGRXEQZXCEIQQ-UHFFFAOYSA-N
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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