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112547-09-8 | Pyrimidinium, 1-acetyl-3,4,5,6-tetrahydro-3-methyl-, iodide
CAS No: 112547-09-8 Catalog No: AG007SZI MDL No:
Product Description
Catalog Number:
AG007SZI
Chemical Name:
Pyrimidinium, 1-acetyl-3,4,5,6-tetrahydro-3-methyl-, iodide
CAS Number:
112547-09-8
Molecular Formula:
C7H13IN2O
Molecular Weight:
268.0954
IUPAC Name:
1-(3-methyl-5,6-dihydro-4H-pyrimidin-3-ium-1-yl)ethanone;iodide
InChI:
InChI=1S/C7H13N2O.HI/c1-7(10)9-5-3-4-8(2)6-9;/h6H,3-5H2,1-2H3;1H/q+1;/p-1
InChI Key:
JVECNXKRNBXRCO-UHFFFAOYSA-M
SMILES:
CN1CCC[N+](=C1)C(=O)C.[I-]
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.007g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.098g/mol
Monoisotopic Mass:
268.007g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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