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14151-80-5

14151-80-5 | Phenol, 4-[[4-(acetyloxy)phenyl]cyclooctylidenemethyl]-, acetate (9CI)

CAS No: 14151-80-5 Catalog No: AG001GJM MDL No:

Product Description

Catalog Number:
AG001GJM
Chemical Name:
Phenol, 4-[[4-(acetyloxy)phenyl]cyclooctylidenemethyl]-, acetate (9CI)
CAS Number:
14151-80-5
Molecular Formula:
C25H28O4
Molecular Weight:
392.4874
IUPAC Name:
acetic acid;[4-[cyclooctylidene-(4-hydroxyphenyl)methyl]phenyl] acetate
InChI:
InChI=1S/C23H26O3.C2H4O2/c1-17(24)26-22-15-11-20(12-16-22)23(19-9-13-21(25)14-10-19)18-7-5-3-2-4-6-8-18;1-2(3)4/h9-16,25H,2-8H2,1H3;1H3,(H,3,4)
InChI Key:
TUIZVENXNDTJCM-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1)C(=C1CCCCCCC1)c1ccc(cc1)OC(=O)C

Properties

Complexity:
501  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.209g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
410.51g/mol
Monoisotopic Mass:
410.209g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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