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93-99-2 | Phenyl benzoate
CAS No: 93-99-2 Catalog No: AG003TOW MDL No:MFCD00003072
Product Description
Catalog Number:
AG003TOW
Chemical Name:
Phenyl benzoate
CAS Number:
93-99-2
Molecular Formula:
C13H10O2
Molecular Weight:
198.2173
MDL Number:
MFCD00003072
IUPAC Name:
phenyl benzoate
InChI:
InChI=1S/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H
InChI Key:
FCJSHPDYVMKCHI-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Oc1ccccc1
EC Number:
202-293-2
UNII:
B8A3WVZ590
NSC Number:
37086
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.221g/mol
Monoisotopic Mass:
198.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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