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ethyl (1R,3R,6S)-7-oxabicyclo[4.1.0]heptane-3-carboxylate - 97%, high purity , CAS No.1210348-12-1

COA

Grade & Purity:

≥97%

Cas Number: 1210348-12-1
Molecular Weight: 170.21
MDL number: MFCD23106244
PubChem CID: 57481682

In stock

Item Number

E627384

Grouped product items
SKU	Size	Availability	Price
E627384-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$217.90
E627384-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$654.90
E627384-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,273.90

Basic Description

Synonyms	1210348-12-1 \| (1R,3R,6S)-7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid ethyl ester \| ETHYL (1R,3R,6S)-7-OXABICYCLO[4.1.0]HEPTANE-3-CARBOXYLATE \| (1R,3R,6S)-Ethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate \| SCHEMBL4269581 \| AMY11836 \| MFCD23106244 \| PB35207
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Oxepanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxepanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Oxepanes
Alternative Parents	Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Oxepane - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
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	ethyl (1R,3R,6S)-7-oxabicyclo[4.1.0]heptane-3-carboxylate
INCHI	InChI=1S/C9H14O3/c1-2-11-9(10)6-3-4-7-8(5-6)12-7/h6-8H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKey	ALEAMASTTOYSRW-GJMOJQLCSA-N
Smiles	CCOC(=O)C1CCC2C(C1)O2
Isomeric SMILES	CCOC(=O)[C@@H]1CC[C@H]2[C@@H](C1)O2
PubChem CID	57481682
Molecular Weight	170.21

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	170.210 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	170.094 Da
Monoisotopic Mass	170.094 Da
Topological Polar Surface Area	38.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	190.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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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