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Home > Nitro Compounds > 2060034-85-5
2060034-85-5 | 8,8-dimethyl-2-(3-nitrophenyl)-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CAS No: 2060034-85-5 Catalog No: AG01BYSK MDL No:MFCD30487388
Product Description
Catalog Number:
AG01BYSK
Chemical Name:
8,8-dimethyl-2-(3-nitrophenyl)-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CAS Number:
2060034-85-5
Molecular Formula:
C16H17N3O3
Molecular Weight:
299.3245
MDL Number:
MFCD30487388
IUPAC Name:
8,8-dimethyl-2-(3-nitrophenyl)-7,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C16H17N3O3/c1-16(2)6-7-18-14(10-16)17-13(9-15(18)20)11-4-3-5-12(8-11)19(21)22/h3-5,8-9H,6-7,10H2,1-2H3
InChI Key:
SMNHGEDCLFDNJN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1cc(=O)n2c(n1)CC(CC2)(C)C
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.127g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.33g/mol
Monoisotopic Mass:
299.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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