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89193-22-6 | 1H-Pyrazol-4-ol, 1,3,5-trimethyl-
CAS No: 89193-22-6 Catalog No: AG003VPN MDL No:MFCD20441530
Product Description
Catalog Number:
AG003VPN
Chemical Name:
1H-Pyrazol-4-ol, 1,3,5-trimethyl-
CAS Number:
89193-22-6
Molecular Formula:
C6H10N2O
Molecular Weight:
126.1564
MDL Number:
MFCD20441530
IUPAC Name:
1,3,5-trimethylpyrazol-4-ol
InChI:
InChI=1S/C6H10N2O/c1-4-6(9)5(2)8(3)7-4/h9H,1-3H3
InChI Key:
HAJMFBQNIMHGFE-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1O)C)C
Properties
Complexity:
107
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:
0
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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