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2-(3，5-Di-tert-butylphenyl)acetic acid - ≥95%, high purity , CAS No.42288-54-0

COA

Grade & Purity:

≥95%

Cas Number: 42288-54-0
Molecular Weight: 248.36
PubChem CID: 8167134

In stock

Item Number

A710277

Grouped product items
SKU	Size	Availability	Price	Qty
A710277-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$834.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylpropanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpropanes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanes
Alternative Parents	Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane 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

Names and Identifiers

IUPAC Name	2-(3,5-ditert-butylphenyl)acetic acid
INCHI	InChI=1S/C16H24O2/c1-15(2,3)12-7-11(9-14(17)18)8-13(10-12)16(4,5)6/h7-8,10H,9H2,1-6H3,(H,17,18)
InChIKey	VOMXJSLQKJJZSU-UHFFFAOYSA-N
Smiles	CC(C)(C)C1=CC(=CC(=C1)CC(=O)O)C(C)(C)C
Isomeric SMILES	CC(C)(C)C1=CC(=CC(=C1)CC(=O)O)C(C)(C)C
PubChem CID	8167134
Molecular Weight	248.36

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	248.360 g/mol
XLogP3	4.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	248.178 Da
Monoisotopic Mass	248.178 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	271.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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2-(3，5-Di-tert-butylphenyl)acetic acid - ≥95%, high purity , CAS No.42288-54-0

Basic Description