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1225223-42-6 | Ethanone, 1-(2-methyl-5-pyrimidinyl)-
CAS No: 1225223-42-6 Catalog No: AG0017DB MDL No:MFCD18073349
Product Description
Catalog Number:
AG0017DB
Chemical Name:
Ethanone, 1-(2-methyl-5-pyrimidinyl)-
CAS Number:
1225223-42-6
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
MDL Number:
MFCD18073349
IUPAC Name:
1-(2-methylpyrimidin-5-yl)ethanone
InChI:
InChI=1S/C7H8N2O/c1-5(10)7-3-8-6(2)9-4-7/h3-4H,1-2H3
InChI Key:
TWNSRXTUWVTDNM-UHFFFAOYSA-N
SMILES:
Cc1ncc(cn1)C(=O)C
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.064g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.154g/mol
Monoisotopic Mass:
136.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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