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918402-91-2 | Benzoic acid, 2,5-bis[[(1,1-dimethylethoxy)carbonyl]oxy]-, ethyl ester
CAS No: 918402-91-2 Catalog No: AG006G19 MDL No:
Product Description
Catalog Number:
AG006G19
Chemical Name:
Benzoic acid, 2,5-bis[[(1,1-dimethylethoxy)carbonyl]oxy]-, ethyl ester
CAS Number:
918402-91-2
Molecular Formula:
C19H26O8
Molecular Weight:
382.4049
IUPAC Name:
ethyl 2,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]benzoate
InChI:
InChI=1S/C19H26O8/c1-8-23-15(20)13-11-12(24-16(21)26-18(2,3)4)9-10-14(13)25-17(22)27-19(5,6)7/h9-11H,8H2,1-7H3
InChI Key:
WBFQDXBLNWQPCE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(ccc1OC(=O)OC(C)(C)C)OC(=O)OC(C)(C)C
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.163g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.409g/mol
Monoisotopic Mass:
382.163g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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