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180207-57-2 | 1H-Pyrazole-4-ethanol
CAS No: 180207-57-2 Catalog No: AG0021SJ MDL No:MFCD03419343
Product Description
Catalog Number:
AG0021SJ
Chemical Name:
1H-Pyrazole-4-ethanol
CAS Number:
180207-57-2
Molecular Formula:
C5H8N2O
Molecular Weight:
112.1298
MDL Number:
MFCD03419343
IUPAC Name:
2-(1H-pyrazol-4-yl)ethanol
InChI:
InChI=1S/C5H8N2O/c8-2-1-5-3-6-7-4-5/h3-4,8H,1-2H2,(H,6,7)
InChI Key:
YVQFZSHMTCZYMI-UHFFFAOYSA-N
SMILES:
OCCc1c[nH]nc1
Properties
Complexity:
67.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.064g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
112.132g/mol
Monoisotopic Mass:
112.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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