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132089-44-2 | 4-Oxazolecarboxylic acid, 2-(3-methoxyphenyl)-, ethyl ester
CAS No: 132089-44-2 Catalog No: AG00106U MDL No:MFCD06738606
Product Description
Catalog Number:
AG00106U
Chemical Name:
4-Oxazolecarboxylic acid, 2-(3-methoxyphenyl)-, ethyl ester
CAS Number:
132089-44-2
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
MDL Number:
MFCD06738606
IUPAC Name:
ethyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
InChI:
InChI=1S/C13H13NO4/c1-3-17-13(15)11-8-18-12(14-11)9-5-4-6-10(7-9)16-2/h4-8H,3H2,1-2H3
InChI Key:
NERDIQSAFWMOHG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1coc(n1)c1cccc(c1)OC
Properties
Complexity:
284
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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