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1267901-30-3 | 4-Isoxazolecarboxylic acid, 3-(2-methoxyphenyl)-5-methyl-, methyl ester
CAS No: 1267901-30-3 Catalog No: AG000T89 MDL No:MFCD19356700
Product Description
Catalog Number:
AG000T89
Chemical Name:
4-Isoxazolecarboxylic acid, 3-(2-methoxyphenyl)-5-methyl-, methyl ester
CAS Number:
1267901-30-3
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
MDL Number:
MFCD19356700
IUPAC Name:
methyl 3-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylate
InChI:
InChI=1S/C13H13NO4/c1-8-11(13(15)17-3)12(14-18-8)9-6-4-5-7-10(9)16-2/h4-7H,1-3H3
InChI Key:
SOQAHPVQGVNBTO-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)onc1c1ccccc1OC
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.25g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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