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6029-43-2 | 9a-phenyl-octahydro-1H-pyrido[1,2-a]pyrimidin-6-one
CAS No: 6029-43-2 Catalog No: AG00JWDZ MDL No:MFCD12547090
Product Description
Catalog Number:
AG00JWDZ
Chemical Name:
9a-phenyl-octahydro-1H-pyrido[1,2-a]pyrimidin-6-one
CAS Number:
6029-43-2
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
MDL Number:
MFCD12547090
IUPAC Name:
9a-phenyl-2,3,4,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrimidin-6-one
InChI:
InChI=1S/C14H18N2O/c17-13-8-4-9-14(12-6-2-1-3-7-12)15-10-5-11-16(13)14/h1-3,6-7,15H,4-5,8-11H2
InChI Key:
UZHDFTCCJFETLP-UHFFFAOYSA-N
SMILES:
O=C1CCCC2(N1CCCN2)c1ccccc1
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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