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1441-37-8 | 2-Oxazolecarboxylic acid, 5-(4-methoxyphenyl)-, ethyl ester
CAS No: 1441-37-8 Catalog No: AG001IXF MDL No:MFCD21091666
Product Description
Catalog Number:
AG001IXF
Chemical Name:
2-Oxazolecarboxylic acid, 5-(4-methoxyphenyl)-, ethyl ester
CAS Number:
1441-37-8
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
MDL Number:
MFCD21091666
IUPAC Name:
ethyl 5-(4-methoxyphenyl)-1,3-oxazole-2-carboxylate
InChI:
InChI=1S/C13H13NO4/c1-3-17-13(15)12-14-8-11(18-12)9-4-6-10(16-2)7-5-9/h4-8H,3H2,1-2H3
InChI Key:
YTFWDPLAXJZJDR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncc(o1)c1ccc(cc1)OC
Properties
Complexity:
276
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:
5
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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