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3-(2-(tert-Butoxycarbonyl)hydrazinyl)benzoic acid - ≥97%, high purity , CAS No.156899-02-4

COA

Grade & Purity:

≥97%

Cas Number: 156899-02-4
Molecular Weight: 252.27
PubChem CID: 21701807

In stock

Item Number

H730113

Grouped product items
SKU	Size	Availability	Price
H730113-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$68.90
H730113-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$135.90
H730113-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$555.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acids
Alternative Parents	Phenylhydrazines Benzoyl derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoic acid - Phenylhydrazine - Benzoyl - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
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-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]benzoic acid
INCHI	InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-13-9-6-4-5-8(7-9)10(15)16/h4-7,13H,1-3H3,(H,14,17)(H,15,16)
InChIKey	QALBKMGURMIQOA-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)NNC1=CC=CC(=C1)C(=O)O
Isomeric SMILES	CC(C)(C)OC(=O)NNC1=CC=CC(=C1)C(=O)O
Alternate CAS	156899-02-4
PubChem CID	21701807
Molecular Weight	252.27

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	252.270 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	252.111 Da
Monoisotopic Mass	252.111 Da
Topological Polar Surface Area	87.700 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	312.000
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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