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2-(propan-2-yloxy)pyrimidine-5-carboxylic acid - 97%, high purity , CAS No.1072855-45-8

COA

Grade & Purity:

≥97%

Cas Number: 1072855-45-8
Molecular Weight: 182.18
MDL number: MFCD16657353
PubChem CID: 25116527

In stock

Item Number

P626759

Grouped product items
SKU	Size	Availability	Price
P626759-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$393.90
P626759-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$492.90
P626759-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,973.90
P626759-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,945.90

Basic Description

Synonyms	2-(Propan-2-yloxy)pyrimidine-5-carboxylic acid \| 1072855-45-8 \| 2-isopropoxypyrimidine-5-carboxylic acid \| 2-propan-2-yloxypyrimidine-5-carboxylic acid \| SCHEMBL840770 \| MFCD16657353 \| 2-isopropoxypyrimidine-5-carboxylicacid \| KS-7615 \| SB56116 \| CS-01835
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives
      - Level5 Pyrimidinecarboxylic acids and derivatives
        Level6 Pyrimidinecarboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Pyrimidinecarboxylic acids and derivatives
Direct Parent	Pyrimidinecarboxylic acids
Alternative Parents	Alkyl aryl ethers Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrimidine-5-carboxylic acid - Alkyl aryl ether - Heteroaromatic compound - Azacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.
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-propan-2-yloxypyrimidine-5-carboxylic acid
INCHI	InChI=1S/C8H10N2O3/c1-5(2)13-8-9-3-6(4-10-8)7(11)12/h3-5H,1-2H3,(H,11,12)
InChIKey	BVFBMMXABHHKSC-UHFFFAOYSA-N
Smiles	CC(C)OC1=NC=C(C=N1)C(=O)O
Isomeric SMILES	CC(C)OC1=NC=C(C=N1)C(=O)O
PubChem CID	25116527
Molecular Weight	182.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	182.180 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	182.069 Da
Monoisotopic Mass	182.069 Da
Topological Polar Surface Area	72.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	176.000
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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