Cas no 82864-06-0 (R-(-)-dol hydrochloride)
R-(-)-dol hydrochloride structure
Product Name:R-(-)-dol hydrochloride
CAS No:82864-06-0
MF:C11H16INO2
MW:321.154715538025
CID:1808006
PubChem ID:9840090
Update Time:2024-03-01
R-(-)-dol hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- R-(-)-dol hydrochloride
- R(-)-DOI HCL
-
- Inchi： 1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
- InChI Key： BGMZUEKZENQUJY-SSDOTTSWSA-N
- SMILES： C(C1=CC(OC)=C(I)C=C1OC)[C@H](N)C
Computed Properties
- Exact Mass: 321.02258g/mol
- Monoisotopic Mass: 321.02258g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 191
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 44.5?2
R-(-)-dol hydrochloride Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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