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129663-15-6 | 4-Isoxazolecarboxylic acid, 5-acetyl-3-phenyl-, ethyl ester
CAS No: 129663-15-6 Catalog No: AG000Z9X MDL No:MFCD00204722
Product Description
Catalog Number:
AG000Z9X
Chemical Name:
4-Isoxazolecarboxylic acid, 5-acetyl-3-phenyl-, ethyl ester
CAS Number:
129663-15-6
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
MDL Number:
MFCD00204722
IUPAC Name:
ethyl 5-acetyl-3-phenyl-1,2-oxazole-4-carboxylate
InChI:
InChI=1S/C14H13NO4/c1-3-18-14(17)11-12(10-7-5-4-6-8-10)15-19-13(11)9(2)16/h4-8H,3H2,1-2H3
InChI Key:
YRPODVVGJWBCIW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(noc1C(=O)C)c1ccccc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.261g/mol
Monoisotopic Mass:
259.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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