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160850-62-4 | 3-Isoxazolecarboxylic acid, 4,5-dimethyl-, ethyl ester
CAS No: 160850-62-4 Catalog No: AG001VEU MDL No:
Product Description
Catalog Number:
AG001VEU
Chemical Name:
3-Isoxazolecarboxylic acid, 4,5-dimethyl-, ethyl ester
CAS Number:
160850-62-4
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
IUPAC Name:
ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C8H11NO3/c1-4-11-8(10)7-5(2)6(3)12-9-7/h4H2,1-3H3
InChI Key:
AEROVXUVZLDVPM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1noc(c1C)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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