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rel-(1R,3r,5S)-bicyclo[3.1.0]hexan-3-ol - 97%, high purity , CAS No.694-43-9

COA

Grade & Purity:

≥97%

Cas Number: 694-43-9
Molecular Weight: 98.14
EC Number: 841-505-3
MDL number: MFCD20921684
PubChem CID: 12724623

In stock

Item Number

R638344

Grouped product items
SKU	Size	Availability	Price	Qty
R638344-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$583.90

Basic Description

Synonyms	AS-59530 \| CS-0058774 \| EN300-7141481 \| cis-Bicyclo[3.1.0]hexan-3-ol \| (1R,5S)-bicyclo[3.1.0]hexan-3-ol \| (1R,3S,5S)-rel-Bicyclo[3.1.0]hexan-3-ol \| MFCD27987946 \| A914568 \| AKOS016014392 \| DTXSID101294966 \| PS-16966 \| AKOS006311103 \| (1S,5R)-bicyclo[3.1.0
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Not available
Direct Parent	Cyclic alcohols and derivatives
Alternative Parents	Secondary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Cyclic alcohol - Secondary alcohol - Hydrocarbon derivative - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.
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	(1S,5R)-bicyclo[3.1.0]hexan-3-ol
INCHI	InChI=1S/C6H10O/c7-6-2-4-1-5(4)3-6/h4-7H,1-3H2/t4-,5+,6?
InChIKey	YKXMZSYOSBDLMM-XEAPYIEGSA-N
Smiles	C1C2C1CC(C2)O
Isomeric SMILES	C1[C@H]2[C@@H]1CC(C2)O
Alternate CAS	694-44-0,694-43-9
Molecular Weight	98.14
Reaxy-Rn	3231022
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3231022&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	98.140 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	98.0732 Da
Monoisotopic Mass	98.0732 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	80.200
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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