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Home > Pyridines > 146501-54-4
146501-54-4 | 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, tetrahydro-, (1R)- (9CI)
CAS No: 146501-54-4 Catalog No: AG001E2O MDL No:
Product Description
Catalog Number:
AG001E2O
Chemical Name:
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, tetrahydro-, (1R)- (9CI)
CAS Number:
146501-54-4
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
7,11-diazatricyclo[7.3.1.02,7]trideca-2,4,8-trien-6-one
InChI:
InChI=1S/C11H12N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,7,9,12H,4-6H2
InChI Key:
HIZRUVWMCBSLHR-UHFFFAOYSA-N
SMILES:
O=c1cccc2n1C=C1CNC[C@H]2C1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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