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Home > Pyridines > 137044-55-4
137044-55-4 | Pyrido[1,2-a]pyrimidin-5-ium, 9-hydroxy-2,4-dimethyl-, perchlorate (1:1)
CAS No: 137044-55-4 Catalog No: AG0012RT MDL No:MFCD00445851
Product Description
Catalog Number:
AG0012RT
Chemical Name:
Pyrido[1,2-a]pyrimidin-5-ium, 9-hydroxy-2,4-dimethyl-, perchlorate (1:1)
CAS Number:
137044-55-4
Molecular Formula:
C10H11ClN2O5
Molecular Weight:
274.6577
MDL Number:
MFCD00445851
IUPAC Name:
2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol;perchlorate
InChI:
InChI=1S/C10H10N2O.ClHO4/c1-7-6-8(2)12-5-3-4-9(13)10(12)11-7;2-1(3,4)5/h3-6H,1-2H3;(H,2,3,4,5)
InChI Key:
QFLISURJTPOAJI-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.Cc1cc(C)[n+]2c(n1)c(O)ccc2
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.036g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.657g/mol
Monoisotopic Mass:
274.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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