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94-01-9 | 1,3-Phenylene dibenzoate
CAS No: 94-01-9 Catalog No: AG003DIU MDL No:MFCD00016576
Product Description
Catalog Number:
AG003DIU
Chemical Name:
1,3-Phenylene dibenzoate
CAS Number:
94-01-9
Molecular Formula:
C20H14O4
Molecular Weight:
318.3228
MDL Number:
MFCD00016576
IUPAC Name:
(3-benzoyloxyphenyl) benzoate
InChI:
InChI=1S/C20H14O4/c21-19(15-8-3-1-4-9-15)23-17-12-7-13-18(14-17)24-20(22)16-10-5-2-6-11-16/h1-14H
InChI Key:
SUQGLJRNDJRARS-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Oc1cccc(c1)OC(=O)c1ccccc1
EC Number:
202-294-8
UNII:
TO6NXP18UZ
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.089g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.328g/mol
Monoisotopic Mass:
318.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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