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85264-33-1 | 3,5-Dimethyl-1-hydroxymethylpyrazole , 98%
CAS No: 85264-33-1 Catalog No: AG003IOF MDL No:MFCD00020738
Product Description
Catalog Number:
AG003IOF
Chemical Name:
3,5-Dimethyl-1-hydroxymethylpyrazole , 98%
CAS Number:
85264-33-1
Molecular Formula:
C6H10N2O
Molecular Weight:
126.1564
MDL Number:
MFCD00020738
IUPAC Name:
(3,5-dimethylpyrazol-1-yl)methanol
InChI:
InChI=1S/C6H10N2O/c1-5-3-6(2)8(4-9)7-5/h3,9H,4H2,1-2H3
InChI Key:
OBENDWOJIFFDLZ-UHFFFAOYSA-N
SMILES:
Cc1cc(nn1CO)C
EC Number:
286-553-0
UNII:
968267D0AP
NSC Number:
71880
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.159g/mol
Monoisotopic Mass:
126.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| New azole antifungal agents with novel modes of action: synthesis and biological studies of new tridentate ligands based on pyrazole and triazole. | European journal of medicinal chemistry 20110901 |
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