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CAS 111230-59-2

CAS 111230-59-2

Chemistry, 1 End Use API, 2 Related Intermediates

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CAS 111230-59-2

Also known as: 111230-59-2, 4-chloro-2-(methoxyimino)-3-oxobutanoic acid, (z)-4-chloro-2-methoxyimino-3-oxobutanoic acid, Butanoic acid,4-chloro-2-(methoxyimino)-3-oxo-, (2z)-, (z)-4-chloro-2-methoxyimino-3-oxobutanoicacid, Dtxsid70699581

Molecular Formula

C₅H₆ClNO₄

Molecular Weight

179.56 g/mol

InChI Key

QWNGESOREPKWTG-UHFFFAOYSA-N

1 2D Structure

CAS 111230-59-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chloro-2-methoxyimino-3-oxobutanoic acid

2.1.2 InChI

InChI=1S/C5H6ClNO4/c1-11-7-4(5(9)10)3(8)2-6/h2H2,1H3,(H,9,10)

2.1.3 InChI Key

QWNGESOREPKWTG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CON=C(C(=O)CCl)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 111230-59-2

2. 4-chloro-2-(methoxyimino)-3-oxobutanoic Acid

3. (z)-4-chloro-2-methoxyimino-3-oxobutanoic Acid

4. Butanoic Acid,4-chloro-2-(methoxyimino)-3-oxo-, (2z)-

5. (z)-4-chloro-2-methoxyimino-3-oxobutanoicacid

6. Dtxsid70699581

7. Zinc256081509

8. 4-chloro-2-methoxyimino-3-oxobutyric Acid

9. A802326

10. 4-chloranyl-2-methoxyimino-3-oxidanylidene-butanoic Acid

2.3 Create Date

2011-10-30

3 Chemical and Physical Properties

Molecular Formula	C₅H₆ClNO₄
Molecular Weight	179.56 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	178.9985354 g/mol
Monoisotopic Mass	178.9985354 g/mol
Topological Polar Surface Area	76 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	201
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently Bonded Unit Count	1

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CAS Number

24701-69-7

End Use API

Cefpodoxime Proxetil

About the Company

Hubei Ling Sheng Pharmaceutical Co., Ltd. was established in December 29, 2010, the company is located in...

Hubei Ling Sheng Pharmaceutical Co., Ltd. was established in December 29, 2010, the company is located in Xiangyang City, Hubei Province Xiangcheng Economic Development Zone, is a key intermediate cephalosporin antibiotics, APIs, DDP-4 hypoglycemic agents , Development, production and sales of specialized pharmaceutical companies. In 2016 the company obtained the national high-tech enterprise certification. Company under the Hubei Ling Sheng Pharmaceutical Co., Ltd. Wuhan Branch. The company has the core technology, is currently the industry's major oral cephalosporin antibiotics API production base.

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