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3-Hydroxy 5-Dibenzosuberenone

CAT: 0572-TRC-H941150-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H941150-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
30235-46-2
Synonyms
3-hydroxy-5H-Dibenzo[a,d]cyclohepten-5-one;
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
C1=CC=C2C(=C1)C=CC3=C(C2=O)C=C(C=C3)O
Molecular Formula
C15H10O2
Molecular Weight
222.24
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-Hydroxy 5-Dibenzosuberenone
CAS Number30235-46-2
PubChem CID53787333
IUPAC Name5-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
Molecular FormulaC15H10O2
Molecular Weight222.24
XLogP4.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity334
SMILES
C1=CC=C2C(=C1)C=CC3=C(C2=O)C=C(C=C3)O
InChI
InChI=1S/C15H10O2/c16-12-8-7-11-6-5-10-3-1-2-4-13(10)15(17)14(11)9-12/h1-9,16H
InChIKey
DZKWIQHKTSOUFU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy 5-Dibenzosuberenone
CAS: 30235-46-2
CID: 53787333
Formula: C15H10O2
MW: 222.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.24
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass222.068079557
Monoisotopic Mass222.068079557
Topological Polar Surface Area37.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity334
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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