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33641-15-5 | 1-Methyl-1H-pyrazol-5-ol
CAS No: 33641-15-5 Catalog No: AG003EH8 MDL No:MFCD05864418
Product Description
Catalog Number:
AG003EH8
Chemical Name:
1-Methyl-1H-pyrazol-5-ol
CAS Number:
33641-15-5
Molecular Formula:
C4H6N2O
Molecular Weight:
98.1032
MDL Number:
MFCD05864418
IUPAC Name:
2-methyl-1H-pyrazol-3-one
InChI:
InChI=1S/C4H6N2O/c1-6-4(7)2-3-5-6/h2-3,5H,1H3
InChI Key:
JMARSTSWTFXHMC-UHFFFAOYSA-N
SMILES:
Cn1nccc1O
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:
1
Isotope Atom Count:
0
Molecular Weight:
98.105g/mol
Monoisotopic Mass:
98.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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