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o-Adamantylanisole

CAT: 0572-TRC-A208250-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A208250-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
43109-77-9
Synonyms
Adapalene Imp. C (EP); Adapalene USP Related Compound C; Adapalene USP RC C; 1-(2-Methoxyphenyl)tricyclo[3.3.1.13,7]decane; Adapalene Related Compound C; Adapalene Impurity C
Hazard Statement
Causes serious eye irritation.
Purity
>95% (HPLC)
Smiles
COc1ccccc1C23CC4CC(CC(C4)C2)C3
Molecular Formula
C17 H22 O
Molecular Weight
242.36
InChI
InChI=1S/C17H22O/c1-18-16-5-3-2-4-15(16)17-9-12-6-13(10-17)8-14(7-12)11-17/h2-5,12-14H,6-11H2,1H3
Additionnal Information
IUPAC name: 1-(2-methoxyphenyl)adamantane
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-(2-Methoxyphenyl)adamantane

See also: 1-(2-Methoxyphenyl)-tricyclo[3.3.1.1]decane (annotation moved to).

CAS Number43109-77-9
PubChem CID10545498
IUPAC Name1-(2-methoxyphenyl)adamantane
Molecular FormulaC17H22O
Molecular Weight242.36
XLogP5.3
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity280
SMILES
COC1=CC=CC=C1C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C17H22O/c1-18-16-5-3-2-4-15(16)17-9-12-6-13(10-17)8-14(7-12)11-17/h2-5,12-14H,6-11H2,1H3
InChIKey
HYSZKSPAPGPYFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Methoxyphenyl)adamantane
CAS: 43109-77-9
CID: 10545498
Formula: C17H22O
MW: 242.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.36
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass242.167065321
Monoisotopic Mass242.167065321
Topological Polar Surface Area9.2 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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