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137446-00-5 | [1,1':3',1''-Terphenyl]-2',4,4''-triol (9CI)
CAS No: 137446-00-5 Catalog No: AG0013A1 MDL No:
Product Description
Catalog Number:
AG0013A1
Chemical Name:
[1,1':3',1''-Terphenyl]-2',4,4''-triol (9CI)
CAS Number:
137446-00-5
Molecular Formula:
C18H14O3
Molecular Weight:
278.3020
IUPAC Name:
2,6-bis(4-hydroxyphenyl)phenol
InChI:
InChI=1S/C18H14O3/c19-14-8-4-12(5-9-14)16-2-1-3-17(18(16)21)13-6-10-15(20)11-7-13/h1-11,19-21H
InChI Key:
AOUQZKPBIFJFBU-UHFFFAOYSA-N
SMILES:
Oc1c(cccc1c1ccc(cc1)O)c1ccc(cc1)O
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.307g/mol
Monoisotopic Mass:
278.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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