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2,3-Dihydroxydiphenyl ether - Substance Summary (SID 49681538)


Data Source:   
Depositor: UM-BBD
External ID: c1255

Depositor-Supplied Synonyms: (Total: 2)
Sort:
2,3-Dihydroxydiphenyl ether
c1255


Properties Computed from Structure:
Molecular Weight202.206 [g/mol]
Molecular FormulaC12H10O3
XLogP3-AA2.7
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count2
Tautomer Count10
Exact Mass202.062994
MonoIsotopic Mass202.062994
Topological Polar Surface Area49.7
Heavy Atom Count15
Formal Charge0
Complexity189
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: 3-(phenoxy)benzene-1,2-diol
Canonical SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2O)O
InChI: InChI=1S/C12H10O3/c13-10-7-4-8-11(12(10)14)15-9-5-2-1-3-6-9/h1-8,13-14H
InChIKey: HLRZKIOOLGZAFC-UHFFFAOYSA-N


Substance Information:
SID 49681538   
Deposit Date: 2008-04-11
Modify Date: 2008-04-11

CID 179618   
Create Date: 2005-08-09

Related Substances:
Same: 5 Links

Similar Substances: 449 Links

     
Compound Displayed

2D

3D
Compound ID179618
Molecular Weight202.206 [g/mol]
Molecular FormulaC12H10O3
XLogP3-AA2.7
H-Bond Donor2
H-Bond Acceptor3


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