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5085-95-0 | 3,3'-(1,4-Phenylenebis(oxy))diphenol
CAS No: 5085-95-0 Catalog No: AG003DMS MDL No:MFCD00142543
Product Description
Catalog Number:
AG003DMS
Chemical Name:
3,3'-(1,4-Phenylenebis(oxy))diphenol
CAS Number:
5085-95-0
Molecular Formula:
C18H14O4
Molecular Weight:
294.3014
MDL Number:
MFCD00142543
IUPAC Name:
3-[4-(3-hydroxyphenoxy)phenoxy]phenol
InChI:
InChI=1S/C18H14O4/c19-13-3-1-5-17(11-13)21-15-7-9-16(10-8-15)22-18-6-2-4-14(20)12-18/h1-12,19-20H
InChI Key:
CHBWEVDVYGBMEJ-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)Oc1ccc(cc1)Oc1cccc(c1)O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.089g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.306g/mol
Monoisotopic Mass:
294.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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