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79524-46-2 | Benzeneacetic acid, 4-(acetyloxy)-, anhydride
CAS No: 79524-46-2 Catalog No: AG005896 MDL No:
Product Description
Catalog Number:
AG005896
Chemical Name:
Benzeneacetic acid, 4-(acetyloxy)-, anhydride
CAS Number:
79524-46-2
Molecular Formula:
C20H18O7
Molecular Weight:
370.3527
IUPAC Name:
[2-(4-acetyloxyphenyl)acetyl] 2-(4-acetyloxyphenyl)acetate
InChI:
InChI=1S/C20H18O7/c1-13(21)25-17-7-3-15(4-8-17)11-19(23)27-20(24)12-16-5-9-18(10-6-16)26-14(2)22/h3-10H,11-12H2,1-2H3
InChI Key:
CFDGBXLHNPXKJT-UHFFFAOYSA-N
SMILES:
O=C(Cc1ccc(cc1)OC(=O)C)OC(=O)Cc1ccc(cc1)OC(=O)C
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.105g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.357g/mol
Monoisotopic Mass:
370.105g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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