Skip to the beginning of the images gallery

(3-Oxo-3，4-dihydro-2H-1，4-benzoxazin-6-yl)acetic acid - ≥95%, high purity , CAS No.134997-91-4

COA

Grade & Purity:

≥95%

Cas Number: 134997-91-4
Molecular Weight: 207.18
PubChem CID: 2764103

In stock

Item Number

A691212

Grouped product items
SKU	Size	Availability	Price
A691212-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$334.90
A691212-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$734.90
A691212-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,766.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzoxazines
    - Subclass Benzoxazinones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzoxazines
Subclass	Benzoxazinones
Intermediate Tree Nodes	Not available
Direct Parent	Benzoxazinones
Alternative Parents	Benzomorpholines Alkyl aryl ethers Benzenoids Secondary carboxylic acid amides Lactams Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzoxazinone - Benzomorpholine - Alkyl aryl ether - Oxazinane - Benzenoid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone 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	2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetic acid
INCHI	InChI=1S/C10H9NO4/c12-9-5-15-8-2-1-6(4-10(13)14)3-7(8)11-9/h1-3H,4-5H2,(H,11,12)(H,13,14)
InChIKey	BJCBIJULJONCMY-UHFFFAOYSA-N
Smiles	C1C(=O)NC2=C(O1)C=CC(=C2)CC(=O)O
Isomeric SMILES	C1C(=O)NC2=C(O1)C=CC(=C2)CC(=O)O
PubChem CID	2764103
Molecular Weight	207.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	207.180 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	207.053 Da
Monoisotopic Mass	207.053 Da
Topological Polar Surface Area	75.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	279.000
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

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