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2,7-Dimethylpyrene

CAT: 0572-TRC-D078200-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D078200-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15679-24-0
Hazard Statement
Causes skin irritation; UN number: UN3077; Packing Group: III
Smiles
Cc1cc2ccc3cc(C)cc4ccc(c1)c2c34
Molecular Formula
C18H14
Molecular Weight
230.3
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2,7-Dimethylpyrene
CAS Number15679-24-0
PubChem CID27441
IUPAC Name2,7-dimethylpyrene
Molecular FormulaC18H14
Molecular Weight230.3
XLogP5.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity260
SMILES
CC1=CC2=C3C(=C1)C=CC4=CC(=CC(=C43)C=C2)C
InChI
InChI=1S/C18H14/c1-11-7-13-3-5-15-9-12(2)10-16-6-4-14(8-11)17(13)18(15)16/h3-10H,1-2H3
InChIKey
GSKHIRFMTJUBSM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,7-Dimethylpyrene
CAS: 15679-24-0
CID: 27441
Formula: C18H14
MW: 230.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.3
XLogP35.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass230.109550447
Monoisotopic Mass230.109550447
Topological Polar Surface Area0 Ų
Heavy Atom Count18
Formal Charge0
Complexity260
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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