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2-prop-2-enoxybenzoic Acid - ≥97%, high purity , CAS No.59086-52-1

COA

Grade & Purity:

≥97%

Cas Number: 59086-52-1
Molecular Weight: 178.18
EC Number: 805-094-4
PubChem CID: 3798703

In stock

Item Number

P708903

Grouped product items
SKU	Size	Availability	Price
P708903-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$19.90
P708903-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90
P708903-1g	1g	1	$69.90
P708903-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$229.90

View related series

Benzoic acids (42) carboxylic acid (2098) Organic building blocks (409)

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	Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoic acid - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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	2-prop-2-enoxybenzoic acid
INCHI	InChI=1S/C10H10O3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h2-6H,1,7H2,(H,11,12)
InChIKey	XPWMIGFSEWFXEZ-UHFFFAOYSA-N
Smiles	C=CCOC1=CC=CC=C1C(=O)O
Isomeric SMILES	C=CCOC1=CC=CC=C1C(=O)O
Alternate CAS	59086-52-1
PubChem CID	3798703
Molecular Weight	178.18

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
B2507318	Certificate of Analysis	Aug 31, 2024	P708903
B2507320	Certificate of Analysis	Aug 31, 2024	P708903
B2507322	Certificate of Analysis	Aug 31, 2024	P708903
B2507324	Certificate of Analysis	Aug 31, 2024	P708903
B2507319	Certificate of Analysis	Aug 31, 2024	P708903
B2507321	Certificate of Analysis	Aug 31, 2024	P708903
B2507323	Certificate of Analysis	Aug 31, 2024	P708903
B2507325	Certificate of Analysis	Aug 31, 2024	P708903

Chemical and Physical Properties

Molecular Weight	178.180 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	178.063 Da
Monoisotopic Mass	178.063 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	189.000
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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