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122613-03-0 | [1,1'-Biphenyl]-4-ol, 4'-[[(1R)-1-methylheptyl]oxy]-
CAS No: 122613-03-0 Catalog No: AG0017JI MDL No:
Product Description
Catalog Number:
AG0017JI
Chemical Name:
[1,1'-Biphenyl]-4-ol, 4'-[[(1R)-1-methylheptyl]oxy]-
CAS Number:
122613-03-0
Molecular Formula:
C20H26O2
Molecular Weight:
298.4192
IUPAC Name:
4-(4-octan-2-yloxyphenyl)phenol
InChI:
InChI=1S/C20H26O2/c1-3-4-5-6-7-16(2)22-20-14-10-18(11-15-20)17-8-12-19(21)13-9-17/h8-16,21H,3-7H2,1-2H3
InChI Key:
NVWSKZDCJFORNE-UHFFFAOYSA-N
SMILES:
CCCCCC[C@H](Oc1ccc(cc1)c1ccc(cc1)O)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.193g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.426g/mol
Monoisotopic Mass:
298.193g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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