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(S, S) - (-) -Hydrobenzoin

CAT: 0024-sc-253457Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-253457Size:5 g
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CAS Number
2325-10-2

Chemical Information

(1S,2S)-1,2-diphenylethane-1,2-diol
CAS Number2325-10-2
PubChem CID853020
IUPAC Name(1S,2S)-1,2-diphenylethane-1,2-diol
Molecular FormulaC14H14O2
Molecular Weight214.26
XLogP1.6
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity171
SMILES
C1=CC=C(C=C1)[C@@H]([C@H](C2=CC=CC=C2)O)O
InChI
InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m0/s1
InChIKey
IHPDTPWNFBQHEB-KBPBESRZSA-N
Chemical Structure
2D Structure
2D structure of (1S,2S)-1,2-diphenylethane-1,2-diol
CAS: 2325-10-2
CID: 853020
Formula: C14H14O2
MW: 214.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight214.26
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass214.099379685
Monoisotopic Mass214.099379685
Topological Polar Surface Area40.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity171
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes