Name: ethyl 3,4,5,6-tetrahydro-2-oxo-2h-pyran-3-carboxylate - ≥97% , CAS No.150013-91-5
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Lactones
Subclass	Delta valerolactones
Intermediate Tree Nodes	Not available
Direct Parent	Delta valerolactones
Alternative Parents	Oxanes Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Delta_valerolactone - Delta valerolactone - 1,3-dicarbonyl compound - Oxane - Dicarboxylic acid or derivatives - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one 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

3D Structure

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	172.180 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	172.074 Da
Monoisotopic Mass	172.074 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	187.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

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Reviews

Canonical Smiles	CCOC(=O)C1CCCOC1=O
IUPAC Name	ethyl 2-oxooxane-3-carboxylate
InChIKey	XVBKSIUXFJGFGK-UHFFFAOYSA-N
INCHI	1S/C8H12O4/c1-2-11-7(9)6-4-3-5-12-8(6)10/h6H,2-5H2,1H3
Isomeric SMILES	CCOC(=O)C1CCCOC1=O
PubChem CID	10261551
Molecular Weight	172.18

ethyl 3,4,5,6-tetrahydro-2-oxo-2h-pyran-3-carboxylate - ≥97% , CAS No.150013-91-5

Specifications