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Home > Pyridines > 1000577-67-2
1000577-67-2 | Pyrido[1,2-a][1,4]diazepin-5(2H)-one, octahydro-
CAS No: 1000577-67-2 Catalog No: AG0000RS MDL No:
Product Description
Catalog Number:
AG0000RS
Chemical Name:
Pyrido[1,2-a][1,4]diazepin-5(2H)-one, octahydro-
CAS Number:
1000577-67-2
Molecular Formula:
C9H16N2O
Molecular Weight:
168.2361
IUPAC Name:
2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepin-5-one
InChI:
InChI=1S/C9H16N2O/c12-9-4-5-10-7-8-3-1-2-6-11(8)9/h8,10H,1-7H2
InChI Key:
VFOPBKHLYOFDNX-UHFFFAOYSA-N
SMILES:
O=C1CCNCC2N1CCCC2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.24g/mol
Monoisotopic Mass:
168.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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