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53064-41-8 | Ethyl 3-ethyl-5-methylisoxazole-4-carboxylate
CAS No: 53064-41-8 Catalog No: AG003Q7O MDL No:MFCD00014094
Product Description
Catalog Number:
AG003Q7O
Chemical Name:
Ethyl 3-ethyl-5-methylisoxazole-4-carboxylate
CAS Number:
53064-41-8
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
MDL Number:
MFCD00014094
IUPAC Name:
ethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
InChI:
InChI=1S/C9H13NO3/c1-4-7-8(6(3)13-10-7)9(11)12-5-2/h4-5H2,1-3H3
InChI Key:
JDWLDZUUTIPZHV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(CC)noc1C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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