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5-Dibenzosuberenone

CAT: 0926-FD21530-01Size: 1 KgDry Ice: NoHazardous: No
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CAT#:0926-FD21530-01Size:1 Kg
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CAS Number
2222-33-5
Synonyms
5H-Dibenzo[a, d]cyclohepten-5-one;2,3:6,7-Dibenzotropone;5-Dibenzosuberenone
MDL Number
MFCD00003588
Smiles
C1=CC=C2C (=C1) C=CC3=CC=CC=C3C2=O
Molecular Formula
C15H10O
Molecular Weight
206.24 g/mol
Controlled
No

Chemical Information

5H-Dibenzo[a,d]cyclohepten-5-one
CAS Number2222-33-5
PubChem CID16679
IUPAC Nametricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
Molecular FormulaC15H10O
Molecular Weight206.24
XLogP4.2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity277
SMILES
C1=CC=C2C(=C1)C=CC3=CC=CC=C3C2=O
InChI
InChI=1S/C15H10O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10H
InChIKey
SNVTZAIYUGUKNI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5H-Dibenzo[a,d]cyclohepten-5-one
CAS: 2222-33-5
CID: 16679
Formula: C15H10O
MW: 206.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.24
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass206.073164938
Monoisotopic Mass206.073164938
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity277
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

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