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73008-79-4 | Phenol, 4,4'-cycloheptylidenebis-
CAS No: 73008-79-4 Catalog No: AG005CYJ MDL No:
Product Description
Catalog Number:
AG005CYJ
Chemical Name:
Phenol, 4,4'-cycloheptylidenebis-
CAS Number:
73008-79-4
Molecular Formula:
C19H22O2
Molecular Weight:
282.3768
IUPAC Name:
4-[1-(4-hydroxyphenyl)cycloheptyl]phenol
InChI:
InChI=1S/C19H22O2/c20-17-9-5-15(6-10-17)19(13-3-1-2-4-14-19)16-7-11-18(21)12-8-16/h5-12,20-21H,1-4,13-14H2
InChI Key:
LPKVNNDYZRCVQR-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1(CCCCCC1)c1ccc(cc1)O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.162g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.383g/mol
Monoisotopic Mass:
282.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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