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1,2-Chrysenedione

CAT: 0572-TRC-C433205-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C433205-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2304-83-8
Hazard Statement
No Data Available
Smiles
O=C1C=Cc2c(ccc3c2ccc4ccccc34)C1=O
Molecular Formula
C18 H10 O2
Molecular Weight
258.271
InChI
InChI=1S/C18H10O2/c19-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)18(17)20/h1-10H
Additionnal Information
IUPAC name: chrysene-1,2-dione
Shipping Conditions
Room Temperature

Chemical Information

1,2-Chrysenedione
CAS Number2304-83-8
PubChem CID16819
IUPAC Namechrysene-1,2-dione
Molecular FormulaC18H10O2
Molecular Weight258.3
XLogP4
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity464
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC(=O)C4=O
InChI
InChI=1S/C18H10O2/c19-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)18(17)20/h1-10H
InChIKey
KXQDINHHHLYVOC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Chrysenedione
CAS: 2304-83-8
CID: 16819
Formula: C18H10O2
MW: 258.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.3
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass258.068079557
Monoisotopic Mass258.068079557
Topological Polar Surface Area34.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity464
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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