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28547-22-0 | Benzoic acid, 3-(benzoyloxy)-
CAS No: 28547-22-0 Catalog No: AG002VO0 MDL No:
Product Description
Catalog Number:
AG002VO0
Chemical Name:
Benzoic acid, 3-(benzoyloxy)-
CAS Number:
28547-22-0
Molecular Formula:
C14H10O4
Molecular Weight:
242.2268
IUPAC Name:
3-benzoyloxybenzoic acid
InChI:
InChI=1S/C14H10O4/c15-13(16)11-7-4-8-12(9-11)18-14(17)10-5-2-1-3-6-10/h1-9H,(H,15,16)
InChI Key:
MEUAICCVSAZKMX-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Oc1cccc(c1)C(=O)O
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.23g/mol
Monoisotopic Mass:
242.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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