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1007518-49-1 | 1-Propanone, 1-(1-methyl-1H-pyrazol-4-yl)-
CAS No: 1007518-49-1 Catalog No: AG0002ST MDL No:MFCD08060047
Product Description
Catalog Number:
AG0002ST
Chemical Name:
1-Propanone, 1-(1-methyl-1H-pyrazol-4-yl)-
CAS Number:
1007518-49-1
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
MDL Number:
MFCD08060047
IUPAC Name:
1-(1-methylpyrazol-4-yl)propan-1-one
InChI:
InChI=1S/C7H10N2O/c1-3-7(10)6-4-8-9(2)5-6/h4-5H,3H2,1-2H3
InChI Key:
SAWHUKVXJMOLKI-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cnn(c1)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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