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Home > Pyridines > 161333-96-6
161333-96-6 | Pyrido[3,4-d]pyrimidin-4(3H)-one, 2-ethyl-
CAS No: 161333-96-6 Catalog No: AG001SD1 MDL No:
Product Description
Catalog Number:
AG001SD1
Chemical Name:
Pyrido[3,4-d]pyrimidin-4(3H)-one, 2-ethyl-
CAS Number:
161333-96-6
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
IUPAC Name:
2-ethyl-3H-pyrido[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C9H9N3O/c1-2-8-11-7-5-10-4-3-6(7)9(13)12-8/h3-5H,2H2,1H3,(H,11,12,13)
InChI Key:
LZVTYGZUUBGUAD-UHFFFAOYSA-N
SMILES:
CCc1nc2cnccc2c(=O)[nH]1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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