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Amitriptyline EP Impurity G (Dibenzosuberol)

CAT: 1596-AR-A01980-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A01980-01Size:10 Units
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CAS Number
1210-34-0
Synonyms
10,11-dihydro-5H-dibenzo[a, d][7]annulen-5-ol;10,11-Dihydro-5h-Dibenzo[A, D]Cyclohepten-5-Ol; Dibenzosuberol;5-Hydroxydibenzo[A, D]Cyclohepta[1,4]Diene; D) Cyclohepten-5-Ol,10,11-Dihydro-5h-Dibenzol; Dibenzo (B, F) Cycloheptan-1-Ol
Molecular Formula
C15H14O
Molecular Weight
210.28
API Name
Amitriptyline

Chemical Information

Dibenzosuberol
CAS Number1210-34-0
PubChem CID14588
IUPAC Nametricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
Molecular FormulaC15H14O
Molecular Weight210.27
XLogP3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity214
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)O
InChI
InChI=1S/C15H14O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2
InChIKey
POAVRNPUPPJLKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibenzosuberol
CAS: 1210-34-0
CID: 14588
Formula: C15H14O
MW: 210.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight210.27
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass210.104465066
Monoisotopic Mass210.104465066
Topological Polar Surface Area20.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity214
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