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885273-19-8 | Ethyl 2-(m-tolyl)oxazole-4-carboxylate
CAS No: 885273-19-8 Catalog No: AG0046X7 MDL No:MFCD06738609
Product Description
Catalog Number:
AG0046X7
Chemical Name:
Ethyl 2-(m-tolyl)oxazole-4-carboxylate
CAS Number:
885273-19-8
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD06738609
IUPAC Name:
ethyl 2-(3-methylphenyl)-1,3-oxazole-4-carboxylate
InChI:
InChI=1S/C13H13NO3/c1-3-16-13(15)11-8-17-12(14-11)10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3
InChI Key:
UOLQCERAFZIHJD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1coc(n1)c1cccc(c1)C
Properties
Complexity:
269
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:
2.9
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