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13089-97-9 | Benzoic acid, 3,5-bis(acetyloxy)-4-methoxy-, methyl ester
CAS No: 13089-97-9 Catalog No: AG000V29 MDL No:
Product Description
Catalog Number:
AG000V29
Chemical Name:
Benzoic acid, 3,5-bis(acetyloxy)-4-methoxy-, methyl ester
CAS Number:
13089-97-9
Molecular Formula:
C13H14O7
Molecular Weight:
282.2461
IUPAC Name:
methyl 3,5-diacetyloxy-4-methoxybenzoate
InChI:
InChI=1S/C13H14O7/c1-7(14)19-10-5-9(13(16)18-4)6-11(12(10)17-3)20-8(2)15/h5-6H,1-4H3
InChI Key:
MVCZQEYADKZPAR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OC(=O)C)c(c(c1)OC(=O)C)OC
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.248g/mol
Monoisotopic Mass:
282.074g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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