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3-(1,3-benzoxazol-2-yl)propanoic acid - 97%, high purity , CAS No.78757-00-3

COA

Grade & Purity:

≥97%

Cas Number: 78757-00-3
Molecular Weight: 191.19
EC Number: 844-565-9
MDL number: MFCD01925019
PubChem CID: 2474218

In stock

Item Number

P634546

Grouped product items
SKU	Size	Availability	Price	Qty
P634546-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$328.90
P634546-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,484.90

Basic Description

Synonyms	3-(Benzo[d]oxazol-2-yl)propanoic acid \| DTXSID00368778 \| STK499891 \| F2124-0596 \| MFCD01925019 \| BS-13895 \| EN300-12098 \| E88352 \| 3-(2-Benzoxazolyl)propanoic Acid \| CS-0224793 \| 3-(Benzo[d]oxazol-2-yl)propanoicacid \| SY143736 \| Z57990849 \| SCHEMBL4775028
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzoxazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzoxazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzoxazoles
Alternative Parents	Benzenoids Oxazoles Heteroaromatic compounds 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	Benzoxazole - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	3-(1,3-benzoxazol-2-yl)propanoic acid
INCHI	InChI=1S/C10H9NO3/c12-10(13)6-5-9-11-7-3-1-2-4-8(7)14-9/h1-4H,5-6H2,(H,12,13)
InChIKey	FUPQHVOTDIAYLV-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)N=C(O2)CCC(=O)O
Isomeric SMILES	C1=CC=C2C(=C1)N=C(O2)CCC(=O)O
Alternate CAS	78757-00-3
PubChem CID	2474218
Molecular Weight	191.19

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	191.180 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	191.058 Da
Monoisotopic Mass	191.058 Da
Topological Polar Surface Area	63.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	219.000
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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