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159617-22-8 | 1,2,3-Benzenetriol, 4-[(4-phenoxyphenyl)methyl]-
CAS No: 159617-22-8 Catalog No: AG001R8H MDL No:
Product Description
Catalog Number:
AG001R8H
Chemical Name:
1,2,3-Benzenetriol, 4-[(4-phenoxyphenyl)methyl]-
CAS Number:
159617-22-8
Molecular Formula:
C19H16O4
Molecular Weight:
308.3279
IUPAC Name:
4-[(4-phenoxyphenyl)methyl]benzene-1,2,3-triol
InChI:
InChI=1S/C19H16O4/c20-17-11-8-14(18(21)19(17)22)12-13-6-9-16(10-7-13)23-15-4-2-1-3-5-15/h1-11,20-22H,12H2
InChI Key:
BWBTWSCXCGRHLG-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1O)O)Cc1ccc(cc1)Oc1ccccc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.105g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
308.333g/mol
Monoisotopic Mass:
308.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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