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191725-73-2 | 1H-Pyrazole-1-ethanol, β-methyl-
CAS No: 191725-73-2 Catalog No: AG002FFH MDL No:MFCD09864511
Product Description
Catalog Number:
AG002FFH
Chemical Name:
1H-Pyrazole-1-ethanol, β-methyl-
CAS Number:
191725-73-2
Molecular Formula:
C6H10N2O
Molecular Weight:
126.1564
MDL Number:
MFCD09864511
IUPAC Name:
2-pyrazol-1-ylpropan-1-ol
InChI:
InChI=1S/C6H10N2O/c1-6(5-9)8-4-2-3-7-8/h2-4,6,9H,5H2,1H3
InChI Key:
CMPLWMNHSXWAPK-UHFFFAOYSA-N
SMILES:
OCC(n1cccn1)C
Properties
Complexity:
87.1
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:
2
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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