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3-Methylfluoranthene

CAT: 0572-TRC-M305315-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M305315-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1706-01-0
Synonyms
Fluoranthene, 3-methyl-;
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
Cc1ccc2c3ccccc3c4cccc1c24
Molecular Formula
C17H12
Molecular Weight
216.28
InChI
InChI=1S/C17H12/c1-11-9-10-16-14-6-3-2-5-13(14)15-8-4-7-12(11)17(15)16/h2-10H,1H3
Additionnal Information
IUPAC name: 3-methylfluoranthene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-Methylfluoranthene

3-Methylfluoranthene is a member of naphthalenes.

CAS Number1706-01-0
PubChem CID15565
IUPAC Name3-methylfluoranthene
Molecular FormulaC17H12
Molecular Weight216.28
XLogP5.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity294
SMILES
CC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C43
InChI
InChI=1S/C17H12/c1-11-9-10-16-14-6-3-2-5-13(14)15-8-4-7-12(11)17(15)16/h2-10H,1H3
InChIKey
XHJKUHDKEFRGSK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methylfluoranthene
CAS: 1706-01-0
CID: 15565
Formula: C17H12
MW: 216.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight216.28
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass216.093900383
Monoisotopic Mass216.093900383
Topological Polar Surface Area0 Ų
Heavy Atom Count17
Formal Charge0
Complexity294
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