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114626-60-7 | Benzoic acid, 2-[bis(4-hydroxyphenyl)methyl]-, butyl ester
CAS No: 114626-60-7 Catalog No: AG000EV8 MDL No:
Product Description
Catalog Number:
AG000EV8
Chemical Name:
Benzoic acid, 2-[bis(4-hydroxyphenyl)methyl]-, butyl ester
CAS Number:
114626-60-7
Molecular Formula:
C24H24O4
Molecular Weight:
376.4450
IUPAC Name:
butyl 2-[bis(4-hydroxyphenyl)methyl]benzoate
InChI:
InChI=1S/C24H24O4/c1-2-3-16-28-24(27)22-7-5-4-6-21(22)23(17-8-12-19(25)13-9-17)18-10-14-20(26)15-11-18/h4-15,23,25-26H,2-3,16H2,1H3
InChI Key:
YAGIZCHVEGQUPE-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)c1ccccc1C(c1ccc(cc1)O)c1ccc(cc1)O
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.167g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.452g/mol
Monoisotopic Mass:
376.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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