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89205-00-5 | 4-Oxazolecarboxylic acid, 5-[4-(1,1-dimethylethyl)phenyl]-, methyl ester
CAS No: 89205-00-5 Catalog No: AG00446F MDL No:
Product Description
Catalog Number:
AG00446F
Chemical Name:
4-Oxazolecarboxylic acid, 5-[4-(1,1-dimethylethyl)phenyl]-, methyl ester
CAS Number:
89205-00-5
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
IUPAC Name:
methyl 5-(4-tert-butylphenyl)-1,3-oxazole-4-carboxylate
InChI:
InChI=1S/C15H17NO3/c1-15(2,3)11-7-5-10(6-8-11)13-12(14(17)18-4)16-9-19-13/h5-9H,1-4H3
InChI Key:
CAVOTMATYIIINA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncoc1c1ccc(cc1)C(C)(C)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.305g/mol
Monoisotopic Mass:
259.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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