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163520-34-1 | 3-Isoxazolecarboxylic acid, 4,5-dihydro-5,5-diphenyl-, methyl ester
CAS No: 163520-34-1 Catalog No: AG001U75 MDL No:
Product Description
Catalog Number:
AG001U75
Chemical Name:
3-Isoxazolecarboxylic acid, 4,5-dihydro-5,5-diphenyl-, methyl ester
CAS Number:
163520-34-1
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
methyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C17H15NO3/c1-20-16(19)15-12-17(21-18-15,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChI Key:
TUXZNXIEDOFQQH-UHFFFAOYSA-N
SMILES:
COC(=O)C1=NOC(C1)(c1ccccc1)c1ccccc1
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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