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70548-98-0 | Benzoic acid, 4-[(1-oxo-2-propenyl)oxy]-, 4-butoxyphenyl ester
CAS No: 70548-98-0 Catalog No: AG005I4C MDL No:
Product Description
Catalog Number:
AG005I4C
Chemical Name:
Benzoic acid, 4-[(1-oxo-2-propenyl)oxy]-, 4-butoxyphenyl ester
CAS Number:
70548-98-0
Molecular Formula:
C20H20O5
Molecular Weight:
340.3698
IUPAC Name:
(4-butoxyphenyl) 4-prop-2-enoyloxybenzoate
InChI:
InChI=1S/C20H20O5/c1-3-5-14-23-16-10-12-18(13-11-16)25-20(22)15-6-8-17(9-7-15)24-19(21)4-2/h4,6-13H,2-3,5,14H2,1H3
InChI Key:
ICITWMHLOOTUIT-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)OC(=O)c1ccc(cc1)OC(=O)C=C
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.131g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.375g/mol
Monoisotopic Mass:
340.131g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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