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164918-11-0 | [1,1':4',1''-Terphenyl]-4,4''-diol, 2'-methyl- (9CI)
CAS No: 164918-11-0 Catalog No: AG001V51 MDL No:
Product Description
Catalog Number:
AG001V51
Chemical Name:
[1,1':4',1''-Terphenyl]-4,4''-diol, 2'-methyl- (9CI)
CAS Number:
164918-11-0
Molecular Formula:
C19H16O2
Molecular Weight:
276.3291
IUPAC Name:
4-[4-(4-hydroxyphenyl)-3-methylphenyl]phenol
InChI:
InChI=1S/C19H16O2/c1-13-12-16(14-2-7-17(20)8-3-14)6-11-19(13)15-4-9-18(21)10-5-15/h2-12,20-21H,1H3
InChI Key:
JDHANQWEXYJIRL-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1ccc(c(c1)C)c1ccc(cc1)O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.115g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.335g/mol
Monoisotopic Mass:
276.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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