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Retene

CAT: 0926-FR67342-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FR67342-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
483-65-8
Synonyms
1-Methyl-7-isopropylphenanthrene
MDL Number
MFCD00016358
Smiles
CC1=C2C=CC3=C (C2=CC=C1) C=CC (=C3) C (C) C
Molecular Formula
C18H18
Molecular Weight
234.34 g/mol
Controlled
No

Chemical Information

Retene

Plates or scales (from ethanol) or pearly-beige small flakes. (NTP, 1992)

CAS Number483-65-8
PubChem CID10222
IUPAC Name1-methyl-7-propan-2-ylphenanthrene
Molecular FormulaC18H18
Molecular Weight234.3
XLogP6.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity280
SMILES
CC1=C2C=CC3=C(C2=CC=C1)C=CC(=C3)C(C)C
InChI
InChI=1S/C18H18/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h4-12H,1-3H3
InChIKey
NXLOLUFNDSBYTP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Retene
CAS: 483-65-8
CID: 10222
Formula: C18H18
MW: 234.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.3
XLogP36.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass234.140850574
Monoisotopic Mass234.140850574
Topological Polar Surface Area0 Ų
Heavy Atom Count18
Formal Charge0
Complexity280
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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