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166180-69-4 | 5-Isoxazolemethanol, 3-ethoxy-4-methyl-
CAS No: 166180-69-4 Catalog No: AG001WJ9 MDL No:
Product Description
Catalog Number:
AG001WJ9
Chemical Name:
5-Isoxazolemethanol, 3-ethoxy-4-methyl-
CAS Number:
166180-69-4
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
IUPAC Name:
(3-ethoxy-4-methyl-1,2-oxazol-5-yl)methanol
InChI:
InChI=1S/C7H11NO3/c1-3-10-7-5(2)6(4-9)11-8-7/h9H,3-4H2,1-2H3
InChI Key:
RMUHZMMTVNTBEO-UHFFFAOYSA-N
SMILES:
CCOc1noc(c1C)CO
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.169g/mol
Monoisotopic Mass:
157.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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