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209866-92-2 | 3-Isoxazolecarboxylic acid, 4,5-dihydro-5,5-diphenyl-
CAS No: 209866-92-2 Catalog No: AG002KG2 MDL No:
Product Description
Catalog Number:
AG002KG2
Chemical Name:
3-Isoxazolecarboxylic acid, 4,5-dihydro-5,5-diphenyl-
CAS Number:
209866-92-2
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
IUPAC Name:
5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C16H13NO3/c18-15(19)14-11-16(20-17-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,19)
InChI Key:
ITGSCCPVERXFGN-UHFFFAOYSA-N
SMILES:
OC(=O)C1=NOC(C1)(c1ccccc1)c1ccccc1
UNII:
72348710GC
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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