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1375064-54-2 | 3-Isoxazolecarboxylic acid, 5-[4-(1-methylethyl)phenyl]-, methyl ester
CAS No: 1375064-54-2 Catalog No: AG0013F4 MDL No:MFCD22192329
Product Description
Catalog Number:
AG0013F4
Chemical Name:
3-Isoxazolecarboxylic acid, 5-[4-(1-methylethyl)phenyl]-, methyl ester
CAS Number:
1375064-54-2
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
MDL Number:
MFCD22192329
IUPAC Name:
methyl 5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C14H15NO3/c1-9(2)10-4-6-11(7-5-10)13-8-12(15-18-13)14(16)17-3/h4-9H,1-3H3
InChI Key:
HWLJIBJSSAAPAJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc(c1)c1ccc(cc1)C(C)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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