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2,2'-Dihydroxy-[1,1']-binaphthyl

CAT: 0127-OR30345-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0127-OR30345-01Size:100 g
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CAS Number
602-09-5
Synonyms
1,1'-Binaphthalene-2,2'-diol
MDL Number
MFCD00004068
Purity
99%
Smiles
Oc1ccc2ccccc2c1c3c(O)ccc4ccccc34

Chemical Information

Binol

(S)-(-)-1,1'-Bi-2-naphthol is a member of naphthols.

CAS Number602-09-5
PubChem CID11762
IUPAC Name1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
Molecular FormulaC20H14O2
Molecular Weight286.3
XLogP5.3
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity346
SMILES
C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O
InChI
InChI=1S/C20H14O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H
InChIKey
PPTXVXKCQZKFBN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Binol
CAS: 602-09-5
CID: 11762
Formula: C20H14O2
MW: 286.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight286.3
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass286.099379685
Monoisotopic Mass286.099379685
Topological Polar Surface Area40.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes