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71866-41-6 | Dibenzo(b,e)(1,4)dioxin-1,2-diol
CAS No: 71866-41-6 Catalog No: AG005FC5 MDL No:
Product Description
Catalog Number:
AG005FC5
Chemical Name:
Dibenzo(b,e)(1,4)dioxin-1,2-diol
CAS Number:
71866-41-6
Molecular Formula:
C12H8O4
Molecular Weight:
216.1895
IUPAC Name:
dibenzo-p-dioxin-1,2-diol
InChI:
InChI=1S/C12H8O4/c13-7-5-6-10-12(11(7)14)16-9-4-2-1-3-8(9)15-10/h1-6,13-14H
InChI Key:
DOAGAFMOYJEXRA-UHFFFAOYSA-N
SMILES:
Oc1c(O)ccc2c1Oc1ccccc1O2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.192g/mol
Monoisotopic Mass:
216.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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