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95755-51-4 | 2-phenyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CAS No: 95755-51-4 Catalog No: AG01BYRF MDL No:MFCD30487341
Product Description
Catalog Number:
AG01BYRF
Chemical Name:
2-phenyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CAS Number:
95755-51-4
Molecular Formula:
C14H14N2O
Molecular Weight:
226.2738
MDL Number:
MFCD30487341
IUPAC Name:
2-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C14H14N2O/c17-14-10-12(11-6-2-1-3-7-11)15-13-8-4-5-9-16(13)14/h1-3,6-7,10H,4-5,8-9H2
InChI Key:
VEIRQZSIYJHASN-UHFFFAOYSA-N
SMILES:
O=c1cc(nc2n1CCCC2)c1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.279g/mol
Monoisotopic Mass:
226.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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