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14716-90-6 | 5-Isoxazolemethanol, 3-ethyl-
CAS No: 14716-90-6 Catalog No: AG001EOE MDL No:MFCD11048458
Product Description
Catalog Number:
AG001EOE
Chemical Name:
5-Isoxazolemethanol, 3-ethyl-
CAS Number:
14716-90-6
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD11048458
IUPAC Name:
(3-ethyl-1,2-oxazol-5-yl)methanol
InChI:
InChI=1S/C6H9NO2/c1-2-5-3-6(4-8)9-7-5/h3,8H,2,4H2,1H3
InChI Key:
PUWYXPHAQNCKLQ-UHFFFAOYSA-N
SMILES:
CCc1noc(c1)CO
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:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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