Somu Group Of Companies | CAS 181289-39-4 | Related Intermediates | Manufacturers & Suppliers

Also known as: 181289-39-4, Schembl261461, Zinc34049738, Ethyl (3s)-3-cyano-5-methylhexanoate, Ds-019338

Molecular Formula

C₁₀H₁₇NO₂

Molecular Weight

183.25 g/mol

InChI Key

WBQBMWWPFBMMOD-VIFPVBQESA-N

1 2D Structure

CAS 181289-39-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl (3S)-3-cyano-5-methylhexanoate

2.1.2 InChI

InChI=1S/C10H17NO2/c1-4-13-10(12)6-9(7-11)5-8(2)3/h8-9H,4-6H2,1-3H3/t9-/m0/s1

2.1.3 InChI Key

WBQBMWWPFBMMOD-VIFPVBQESA-N

2.1.4 Canonical SMILES

CCOC(=O)CC(CC(C)C)C#N

2.1.5 Isomeric SMILES

CCOC(=O)C[C@H](CC(C)C)C#N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 181289-39-4

2. Schembl261461

3. Zinc34049738

4. Ethyl (3s)-3-cyano-5-methylhexanoate

5. Ds-019338

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₇NO₂
Molecular Weight	183.25 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	183.125928785 g/mol
Monoisotopic Mass	183.125928785 g/mol
Topological Polar Surface Area	50.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	202
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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R-(-)-3-(Carbamoyl)-5-Methylhexanoic Acid

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Manufacturers and Exporters of speciality fine chemicals, speciality solvents, Pharma Intermediates, Agro...

Manufacturers and Exporters of speciality fine chemicals, speciality solvents, Pharma Intermediates, Agro Intermediates, Cosmetic ingredients and nutraceutical ingredients. Also Importers, stockists and Distributors for solvents, Industrial Chemicals and packaging products.
Currently we are leaders in Manufacturing speciality fine chemicals, speciality solvents, Pharma Intermediates, Agro intermediates, Cosmetic ingredients and Nutraceutical ingredients with three"state of the art Manufacturing"units we are specialized in Hydrogenation under high pressure, Esterification and Extraction processes.

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3-(Carbamoyl Methyl)-5-Methyl Hexanoic Acid

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Manufacturers and Exporters of speciality fine chemicals, speciality solvents, Pharma Intermediates, Agro...

Manufacturers and Exporters of speciality fine chemicals, speciality solvents, Pharma Intermediates, Agro Intermediates, Cosmetic ingredients and nutraceutical ingredients. Also Importers, stockists and Distributors for solvents, Industrial Chemicals and packaging products.
Currently we are leaders in Manufacturing speciality fine chemicals, speciality solvents, Pharma Intermediates, Agro intermediates, Cosmetic ingredients and Nutraceutical ingredients with three"state of the art Manufacturing"units we are specialized in Hydrogenation under high pressure, Esterification and Extraction processes.

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