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CAS 161798-01-2 manufacturers and suppliers on PharmaCompass

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CAS 161798-01-2
Also known as:
Molecular Formula
C14H13NO4S
Molecular Weight
291.32  g/mol
InChI Key
UIJOKDCOTANGQI-LCYFTJDESA-N

1 2D Structure

CAS 161798-01-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl (2Z)-2-(3-formyl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methyl-3H-1,3-thiazole-5-carboxylate
2.1.2 InChI
InChI=1S/C14H13NO4S/c1-3-19-14(18)12-8(2)15-13(20-12)9-4-5-11(17)10(6-9)7-16/h4-7,15H,3H2,1-2H3/b13-9-
2.1.3 InChI Key
UIJOKDCOTANGQI-LCYFTJDESA-N
2.1.4 Canonical SMILES
CCOC(=O)C1=C(NC(=C2C=CC(=O)C(=C2)C=O)S1)C
2.1.5 Isomeric SMILES
CCOC(=O)C1=C(N/C(=C/2\C=CC(=O)C(=C2)C=O)/S1)C
2.2 Create Date
2010-06-17
3 Chemical and Physical Properties
Molecular Weight 291.32 g/mol
Molecular Formula C14H13NO4S
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass291.05652907 g/mol
Monoisotopic Mass291.05652907 g/mol
Topological Polar Surface Area97.8 A^2
Heavy Atom Count20
Formal Charge0
Complexity611
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag India
Digital Content Digital Content
609-15-4
Febuxostat
"The Company’s product portfolio includes a wide range of products such as Acetyl Intermediates, Specia...
"The Company’s product portfolio includes a wide range of products such as Acetyl Intermediates, Speciality Intermediates, and Fluorine Intermediates. These products serve diverse applications, spanning industries from pharmaceuticals to packaging and extending to agrochemicals, along with paints, coatings, and dyes. With local presence in Europe and China, the Company has a strong presence in the international markets.
Since its inception, the company has maintained a constant focus on quality, innovation, sustainability, customer centricity which has enabled it to become a reliable partner for its customers.
Laxmi Organic

EMWA 2024

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