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89204-98-8 | 4-Oxazolecarboxylic acid, 5-(4-ethylphenyl)-, methyl ester
CAS No: 89204-98-8 Catalog No: AG0046AV MDL No:
Product Description
Catalog Number:
AG0046AV
Chemical Name:
4-Oxazolecarboxylic acid, 5-(4-ethylphenyl)-, methyl ester
CAS Number:
89204-98-8
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
methyl 5-(4-ethylphenyl)-1,3-oxazole-4-carboxylate
InChI:
InChI=1S/C13H13NO3/c1-3-9-4-6-10(7-5-9)12-11(13(15)16-2)14-8-17-12/h4-8H,3H2,1-2H3
InChI Key:
KYRAYBPVGRBFBZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncoc1c1ccc(cc1)CC
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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