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203065-55-8 | Benzoic acid, 2-(acetyloxy)-, 3-formylphenyl ester
CAS No: 203065-55-8 Catalog No: AG0028NN MDL No:
Product Description
Catalog Number:
AG0028NN
Chemical Name:
Benzoic acid, 2-(acetyloxy)-, 3-formylphenyl ester
CAS Number:
203065-55-8
Molecular Formula:
C16H12O5
Molecular Weight:
284.2635
IUPAC Name:
(3-formylphenyl) 2-acetyloxybenzoate
InChI:
InChI=1S/C16H12O5/c1-11(18)20-15-8-3-2-7-14(15)16(19)21-13-6-4-5-12(9-13)10-17/h2-10H,1H3
InChI Key:
SKRAOIMTVRKSEK-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)OC(=O)c1ccccc1OC(=O)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.068g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.267g/mol
Monoisotopic Mass:
284.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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