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SPIRO(5.5)UNDECAN-2-ONE , CAS No.1781-81-3

COA

Cas Number: 1781-81-3
Molecular Weight: 166.266
PubChem CID: 579588

In stock

Item Number

S167984

Grouped product items
SKU	Size	Availability	Price	Qty
S167984-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$184.90

Basic Description

Synonyms	Spiro[5.5]undecan-2-one \| 1781-81-3 \| spiro[5.5]undecan-4-one \| SPIRO(5.5)UNDECAN-2-ONE \| spiro[5.5]undecan-2-on \| SCHEMBL3241777 \| DTXSID90342188 \| FEYUTRZPSFLEST-UHFFFAOYSA-N \| BAA78181 \| MFCD00090150 \| AKOS024262175 \| SB34344 \| ethyl[(2-bromopyridin-3-yl)oxy]acetate \| AS-47557 \|
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Cyclic ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones
Direct Parent	Cyclic ketones
Alternative Parents	Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	spiro[5.5]undecan-4-one
INCHI	InChI=1S/C11H18O/c12-10-5-4-8-11(9-10)6-2-1-3-7-11/h1-9H2
InChIKey	FEYUTRZPSFLEST-UHFFFAOYSA-N
Smiles	C1CCC2(CC1)CCCC(=O)C2
Isomeric SMILES	C1CCC2(CC1)CCCC(=O)C2
PubChem CID	579588
Molecular Weight	166.266

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	166.260 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	166.136 Da
Monoisotopic Mass	166.136 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	177.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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