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16494-24-9 | Benzoic acid, 4-[(butoxycarbonyl)oxy]-, 4-ethoxyphenyl ester
CAS No: 16494-24-9 Catalog No: AG001V71 MDL No:MFCD00051359
Product Description
Catalog Number:
AG001V71
Chemical Name:
Benzoic acid, 4-[(butoxycarbonyl)oxy]-, 4-ethoxyphenyl ester
CAS Number:
16494-24-9
Molecular Formula:
C20H22O6
Molecular Weight:
358.3851
MDL Number:
MFCD00051359
IUPAC Name:
(4-ethoxyphenyl) 4-butoxycarbonyloxybenzoate
InChI:
InChI=1S/C20H22O6/c1-3-5-14-24-20(22)26-18-8-6-15(7-9-18)19(21)25-17-12-10-16(11-13-17)23-4-2/h6-13H,3-5,14H2,1-2H3
InChI Key:
GIJIKFKGLZGENN-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)Oc1ccc(cc1)C(=O)Oc1ccc(cc1)OCC
EC Number:
240-561-0
NSC Number:
152096
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.39g/mol
Monoisotopic Mass:
358.142g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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