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114943-43-0 | Benzoic acid, 4-(acetyloxy)-, 4-carboxyphenyl ester
CAS No: 114943-43-0 Catalog No: AG000FHI MDL No:
Product Description
Catalog Number:
AG000FHI
Chemical Name:
Benzoic acid, 4-(acetyloxy)-, 4-carboxyphenyl ester
CAS Number:
114943-43-0
Molecular Formula:
C16H12O6
Molecular Weight:
300.2629
IUPAC Name:
4-(4-acetyloxybenzoyl)oxybenzoic acid
InChI:
InChI=1S/C16H12O6/c1-10(17)21-13-8-4-12(5-9-13)16(20)22-14-6-2-11(3-7-14)15(18)19/h2-9H,1H3,(H,18,19)
InChI Key:
JZJLRNMWQPRPOY-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1)C(=O)Oc1ccc(cc1)C(=O)O
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.063g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.266g/mol
Monoisotopic Mass:
300.063g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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