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3-((tert-Butoxycarbonyl)amino)-1，2，3，4-tetrahydronaphthalene-2-carboxylic acid - ≥97%, high purity , CAS No.903094-83-7

COA

Grade & Purity:

≥97%

Cas Number: 903094-83-7
Molecular Weight: 291.34
PubChem CID: 45357023

In stock

Item Number

A732491

Grouped product items
SKU	Size	Availability	Price	Qty
A732491-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$278.90

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 Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	2-naphthalenecarboxylic acid - Tetralin - Carbamic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homopolycyclic 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	3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
INCHI	InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-13-9-11-7-5-4-6-10(11)8-12(13)14(18)19/h4-7,12-13H,8-9H2,1-3H3,(H,17,20)(H,18,19)
InChIKey	WDICICLPVPLNHO-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)NC1CC2=CC=CC=C2CC1C(=O)O
Isomeric SMILES	CC(C)(C)OC(=O)NC1CC2=CC=CC=C2CC1C(=O)O
PubChem CID	45357023
Molecular Weight	291.34

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	291.340 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	291.147 Da
Monoisotopic Mass	291.147 Da
Topological Polar Surface Area	75.600 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	402.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
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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