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199342-52-4 | 4-Isoxazolecarboxylic acid, 4,5-dihydro-3-methyl-4-phenyl-, ethyl ester
CAS No: 199342-52-4 Catalog No: AG002C2N MDL No:
Product Description
Catalog Number:
AG002C2N
Chemical Name:
4-Isoxazolecarboxylic acid, 4,5-dihydro-3-methyl-4-phenyl-, ethyl ester
CAS Number:
199342-52-4
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
ethyl 3-methyl-4-phenyl-5H-1,2-oxazole-4-carboxylate
InChI:
InChI=1S/C13H15NO3/c1-3-16-12(15)13(9-17-14-10(13)2)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChI Key:
XCSDAMHGBNRIMI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CON=C1C)c1ccccc1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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