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24827-15-4 | Benzoic acid, 4-methyl-, 5-methyl-3-isoxazolyl ester
CAS No: 24827-15-4 Catalog No: AG002PKV MDL No:
Product Description
Catalog Number:
AG002PKV
Chemical Name:
Benzoic acid, 4-methyl-, 5-methyl-3-isoxazolyl ester
CAS Number:
24827-15-4
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
(5-methyl-1,2-oxazol-3-yl) 4-methylbenzoate
InChI:
InChI=1S/C12H11NO3/c1-8-3-5-10(6-4-8)12(14)15-11-7-9(2)16-13-11/h3-7H,1-2H3
InChI Key:
FRFBCDYCEFAAAU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)Oc1noc(c1)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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