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88487-68-7 | Butanoic acid, 4-[4-[1-ethyl-2-(4-hydroxyphenyl)butyl]phenoxy]-
CAS No: 88487-68-7 Catalog No: AG0049HH MDL No:
Product Description
Catalog Number:
AG0049HH
Chemical Name:
Butanoic acid, 4-[4-[1-ethyl-2-(4-hydroxyphenyl)butyl]phenoxy]-
CAS Number:
88487-68-7
Molecular Formula:
C22H28O4
Molecular Weight:
356.4553
IUPAC Name:
4-[4-[4-(4-hydroxyphenyl)hexan-3-yl]phenoxy]butanoic acid
InChI:
InChI=1S/C22H28O4/c1-3-20(16-7-11-18(23)12-8-16)21(4-2)17-9-13-19(14-10-17)26-15-5-6-22(24)25/h7-14,20-21,23H,3-6,15H2,1-2H3,(H,24,25)
InChI Key:
HNGYDELHKFXWRB-UHFFFAOYSA-N
SMILES:
CCC(C(c1ccc(cc1)O)CC)c1ccc(cc1)OCCCC(=O)O
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.199g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
356.462g/mol
Monoisotopic Mass:
356.199g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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