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1,2,8-Trimethyl-phenanthrene

CAT: 0572-TRC-T796615-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T796615-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20291-75-2
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
Cc1ccc2c(ccc3c(C)cccc23)c1C
Molecular Formula
C17 H16
Molecular Weight
220.309
InChI
InChI=1S/C17H16/c1-11-7-8-17-15(13(11)3)10-9-14-12(2)5-4-6-16(14)17/h4-10H,1-3H3
Additionnal Information
IUPAC name: 1,2,8-trimethylphenanthrene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,2,8-Trimethylphenanthrene
CAS Number20291-75-2
PubChem CID88469
IUPAC Name1,2,8-trimethylphenanthrene
Molecular FormulaC17H16
Molecular Weight220.31
XLogP5.9
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity269
SMILES
CC1=C2C=CC3=C(C2=CC=C1)C=CC(=C3C)C
InChI
InChI=1S/C17H16/c1-11-7-8-17-15(13(11)3)10-9-14-12(2)5-4-6-16(14)17/h4-10H,1-3H3
InChIKey
WWSRSGUHNCVWLP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2,8-Trimethylphenanthrene
CAS: 20291-75-2
CID: 88469
Formula: C17H16
MW: 220.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.31
XLogP35.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass220.125200510
Monoisotopic Mass220.125200510
Topological Polar Surface Area0 Ų
Heavy Atom Count17
Formal Charge0
Complexity269
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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