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Cashmeran

CAT: 0572-TRC-C184750-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C184750-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
33704-61-9
Hazard Statement
Causes skin irritation; UN number: UN3077; Packing Group: III
Smiles
CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C
Molecular Formula
C14 H22 O
Molecular Weight
206.32
InChI
InChI=1S/C14H22O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9H,6-8H2,1-5H3
Additionnal Information
IUPAC name: 1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroinden-4-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(+-)-Cashmeran
CAS Number33704-61-9
PubChem CID92292
IUPAC Name1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroinden-4-one
Molecular FormulaC14H22O
Molecular Weight206.32
XLogP3.3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity344
SMILES
CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C
InChI
InChI=1S/C14H22O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9H,6-8H2,1-5H3
InChIKey
MIZGSAALSYARKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (+-)-Cashmeran
CAS: 33704-61-9
CID: 92292
Formula: C14H22O
MW: 206.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.32
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass206.167065321
Monoisotopic Mass206.167065321
Topological Polar Surface Area17.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity344
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
sc-394072Cashmeran

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