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1-Methylfluoranthene

CAT: 0024-sc-484184Size: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-484184Size:2.5 mg
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CAS Number
25889-60-5

Chemical Information

1-Methylfluoranthene
CAS Number25889-60-5
PubChem CID146998
IUPAC Name1-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=C2C3=CC=CC=C3C4=CC=CC(=C42)C=C1
InChI
InChI=1S/C17H12/c1-11-9-10-12-5-4-8-15-13-6-2-3-7-14(13)16(11)17(12)15/h2-10H,1H3
InChIKey
XTJQJDCUHJRGCX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methylfluoranthene
CAS: 25889-60-5
CID: 146998
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