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101723-10-8 | 1,3-Cyclohexadiene-1,3-diol, 5-[1,1'-biphenyl]-4-yl-
CAS No: 101723-10-8 Catalog No: AG0005BT MDL No:
Product Description
Catalog Number:
AG0005BT
Chemical Name:
1,3-Cyclohexadiene-1,3-diol, 5-[1,1'-biphenyl]-4-yl-
CAS Number:
101723-10-8
Molecular Formula:
C18H16O2
Molecular Weight:
264.3184
IUPAC Name:
5-(4-phenylphenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C18H16O2/c19-17-10-16(11-18(20)12-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16H,10-12H2
InChI Key:
YAXGCLXUXFATQM-UHFFFAOYSA-N
SMILES:
OC1=CC(=CC(C1)c1ccc(cc1)c1ccccc1)O
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.324g/mol
Monoisotopic Mass:
264.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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