Skip to the beginning of the images gallery

(1R,4S)-1,2,3,4-Tetrahydro-1,4-epoxynaphthalene-1-carboxylic Acid - >96.0%(HPLC), high purity , CAS No.1244954-14-0

COA

Grade & Purity:

≥96%(HPLC)

Cas Number: 1244954-14-0
Molecular Weight: 190.2
PubChem CID: 91972068

In stock

Item Number

R160874

Grouped product items
SKU	Size	Availability	Price	Qty
R160874-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$44.90
R160874-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$339.90

View related series

Spectroscopic reagent (233)

Basic Description

Synonyms	1244954-14-0 \| T3001 \| (1R,8S)-11-oxatricyclo[6.2.1.0?,?]undeca-2(7),3,5-triene-1-carboxylic acid \| (1R,4S)-1,2,3,4-Tetrahydro-1,4-epoxynaphthalene-1-carboxylicAcid \| D92648 \| (1R,4S)-3,4-dihydro-1,4-epoxynaphthalene-1(2H)-carboxylic acid \| (1R,8S)-11-oxa
Specifications & Purity	≥96%(HPLC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes
    - Subclass Naphthalenecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Naphthalenecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Naphthalenecarboxylic acids
Alternative Parents	Tetralins Isocoumarans Oxolanes Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1-naphthalenecarboxylic acid - Tetralin - Isocoumaran - Oxolane - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
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	(1R,8S)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxylic acid
INCHI	InChI=1S/C11H10O3/c12-10(13)11-6-5-9(14-11)7-3-1-2-4-8(7)11/h1-4,9H,5-6H2,(H,12,13)/t9-,11+/m0/s1
InChIKey	ZRBQIRRMWRKZTO-GXSJLCMTSA-N
Smiles	C1CC2(C3=CC=CC=C3C1O2)C(=O)O
Isomeric SMILES	C1C[C@@]2(C3=CC=CC=C3[C@H]1O2)C(=O)O
PubChem CID	91972068
Molecular Weight	190.2

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

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

Analytical Chart:

Chemical and Physical Properties

Specific Rotation[α]	-6° (C=1,Acetone)
Melt Point(°C)	139 °C
Molecular Weight	190.190 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	190.063 Da
Monoisotopic Mass	190.063 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	276.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration