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Home > Pyridines > 1803609-82-6
1803609-82-6 | 7-acetyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CAS No: 1803609-82-6 Catalog No: AG01AGF3 MDL No:MFCD28118222
Product Description
Catalog Number:
AG01AGF3
Chemical Name:
7-acetyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CAS Number:
1803609-82-6
Molecular Formula:
C9H11N3O2
Molecular Weight:
193.2025
MDL Number:
MFCD28118222
IUPAC Name:
7-acetyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C9H11N3O2/c1-6(13)12-3-2-7-8(4-12)10-5-11-9(7)14/h5H,2-4H2,1H3,(H,10,11,14)
InChI Key:
MJBLEBUIYYUFGR-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCc2c(C1)nc[nH]c2=O
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.206g/mol
Monoisotopic Mass:
193.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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