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78899-24-8 | Benzoic acid, 2-[(phenoxycarbonyl)oxy]-, phenylmethyl ester
CAS No: 78899-24-8 Catalog No: AG005D7P MDL No:
Product Description
Catalog Number:
AG005D7P
Chemical Name:
Benzoic acid, 2-[(phenoxycarbonyl)oxy]-, phenylmethyl ester
CAS Number:
78899-24-8
Molecular Formula:
C21H16O5
Molecular Weight:
348.3487
IUPAC Name:
benzyl 2-phenoxycarbonyloxybenzoate
InChI:
InChI=1S/C21H16O5/c22-20(24-15-16-9-3-1-4-10-16)18-13-7-8-14-19(18)26-21(23)25-17-11-5-2-6-12-17/h1-14H,15H2
InChI Key:
DUMRFSPPHNOHFF-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccccc1C(=O)OCc1ccccc1)Oc1ccccc1
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.1g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.354g/mol
Monoisotopic Mass:
348.1g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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