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Indeno[1,2,3-cd]pyrene

CAT: 0572-TRC-I510960-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I510960-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
193-39-5
Synonyms
Indeno[1,2,3-cd]pyrene; 1,10-(1,2-Phenylene)pyrene; 1,10-(o-Phenylene)pyrene; Indeno[1,2,3-c,d]pyrene; Indeno(1,2,3-c,d)pyrene
Hazard Statement
Suspected of causing cancer
Purity
>95% (HPLC)
Smiles
c1ccc2c(c1)c3ccc4ccc5cccc6cc2c3c4c56
Molecular Formula
C22 H12
Molecular Weight
276.33
InChI
InChI=1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H
Additionnal Information
IUPAC name: Indeno(1,2,3-c,d)pyrene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Indeno(1,2,3-cd)pyrene

Indeno[1,2,3-cd]pyrene can cause cancer according to an independent committee of scientific and health experts.

CAS Number193-39-5
PubChem CID9131
IUPAC Namehexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene
Molecular FormulaC22H12
Molecular Weight276.3
XLogP7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity453
SMILES
C1=CC=C2C(=C1)C3=C4C2=CC5=CC=CC6=C5C4=C(C=C6)C=C3
InChI
InChI=1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H
InChIKey
SXQBHARYMNFBPS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Indeno(1,2,3-cd)pyrene
CAS: 193-39-5
CID: 9131
Formula: C22H12
MW: 276.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.3
XLogP37
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass276.093900383
Monoisotopic Mass276.093900383
Topological Polar Surface Area0 Ų
Heavy Atom Count22
Formal Charge0
Complexity453
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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