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10234-66-9 | 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-
CAS No: 10234-66-9 Catalog No: AG00078Q MDL No:MFCD20229439
Product Description
Catalog Number:
AG00078Q
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-
CAS Number:
10234-66-9
Molecular Formula:
C4H6N2O
Molecular Weight:
98.1032
MDL Number:
MFCD20229439
IUPAC Name:
2-methyl-4H-pyrazol-3-one
InChI:
InChI=1S/C4H6N2O/c1-6-4(7)2-3-5-6/h3H,2H2,1H3
InChI Key:
NNZXDXMEXBYSRF-UHFFFAOYSA-N
SMILES:
CN1N=CCC1=O
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.048g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
98.105g/mol
Monoisotopic Mass:
98.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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