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116086-99-8 | 1,7-Naphthyridine, hexahydro- (9CI)
CAS No: 116086-99-8 Catalog No: AG000BKT MDL No:
Product Description
Catalog Number:
AG000BKT
Chemical Name:
1,7-Naphthyridine, hexahydro- (9CI)
CAS Number:
116086-99-8
Molecular Formula:
C8H12N2
Molecular Weight:
136.1943
IUPAC Name:
1,2,3,4,4a,5-hexahydro-1,7-naphthyridine
InChI:
InChI=1S/C8H12N2/c1-2-7-3-5-9-6-8(7)10-4-1/h5-7,10H,1-4H2
InChI Key:
BOFBVKIFHMTHQC-UHFFFAOYSA-N
SMILES:
C1CNC2=CN=CCC2C1
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.198g/mol
Monoisotopic Mass:
136.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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