4CH-017220

Chemistry

Chemistry

Manufacturers/Suppliers

2 Suppliers

2 Suppliers

Also known as: 29006-02-8, 4-methoxybutyric acid, Butanoic acid, 4-methoxy-, Mfcd00029855, Butyric acid, 4-methoxy-, Einecs 249-366-5

Molecular Formula

C₅H₁₀O₃

Molecular Weight

118.13 g/mol

InChI Key

VRRCYIFZBSJBAT-UHFFFAOYSA-N

1 2D Structure

4CH-017220

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-methoxybutanoic acid

2.1.2 InChI

InChI=1S/C5H10O3/c1-8-4-2-3-5(6)7/h2-4H2,1H3,(H,6,7)

2.1.3 InChI Key

VRRCYIFZBSJBAT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COCCCC(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 29006-02-8

2. 4-methoxybutyric Acid

3. Butanoic Acid, 4-methoxy-

4. Mfcd00029855

5. Butyric Acid, 4-methoxy-

6. Einecs 249-366-5

7. 4-methoxybutanoicacid

8. 4-methoxy-butyric Acid

9. 4-methoxy-butanoic Acid

10. 4-methoxybutanoic Acid #

11. Butanoic Acid, 4-methoxy

12. 4-(methyloxy)butanoic Acid

13. Schembl82451

14. Chembl4867734

15. Dtxsid70183218

16. Zinc5997802

17. Akos000190525

18. Cs-w001021

19. Bs-12840

20. Da-16849

21. Sy045907

22. Ft-0703853

23. M3329

24. En300-43031

25. A876558

26. J-017352

27. Z818727246

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₀O₃
Molecular Weight	118.13 g/mol
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	118.062994177 g/mol
Monoisotopic Mass	118.062994177 g/mol
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	70.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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4-Methoxy Butyric Acid

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CAS Number

29006-02-8

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About the Company

MAITHILI is a group of companies based in India (MAM, MLS, MAC, MAT,SGG) and Singapore(MITCO). Maithili ...

MAITHILI is a group of companies based in India (MAM, MLS, MAC, MAT,SGG) and Singapore(MITCO). Maithili Life Sciences (MLS) is a Contract Research Organization headquartered in Hyderabad(lab scale). API operations are supported by a manufacturing unit with cGMP facility designed in accordance with international standards with a built up space of around 4,35,600 sq ft located in Tirupati,AP,India(pilot scale).

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