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16648-50-3 | Benzeneacetic acid, α-hydroxy-α-phenyl-, phenylmethyl ester
CAS No: 16648-50-3 Catalog No: AG001WRJ MDL No:
Product Description
Catalog Number:
AG001WRJ
Chemical Name:
Benzeneacetic acid, α-hydroxy-α-phenyl-, phenylmethyl ester
CAS Number:
16648-50-3
Molecular Formula:
C21H18O3
Molecular Weight:
318.3658
IUPAC Name:
benzyl 2-hydroxy-2,2-diphenylacetate
InChI:
InChI=1S/C21H18O3/c22-20(24-16-17-10-4-1-5-11-17)21(23,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,23H,16H2
InChI Key:
LSDNYZKLTSRRSE-UHFFFAOYSA-N
SMILES:
O=C(C(c1ccccc1)(c1ccccc1)O)OCc1ccccc1
EC Number:
240-694-4
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.372g/mol
Monoisotopic Mass:
318.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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