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884504-75-0 | 2-(Isoxazol-4-yl)ethanol
CAS No: 884504-75-0 Catalog No: AG004IO6 MDL No:MFCD05864500
Product Description
Catalog Number:
AG004IO6
Chemical Name:
2-(Isoxazol-4-yl)ethanol
CAS Number:
884504-75-0
Molecular Formula:
C5H7NO2
Molecular Weight:
113.1146
MDL Number:
MFCD05864500
IUPAC Name:
2-(1,2-oxazol-4-yl)ethanol
InChI:
InChI=1S/C5H7NO2/c7-2-1-5-3-6-8-4-5/h3-4,7H,1-2H2
InChI Key:
XMWWZXCFAPIODA-UHFFFAOYSA-N
SMILES:
OCCc1conc1
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:
113.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
113.116g/mol
Monoisotopic Mass:
113.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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