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1119-46-6 | 5-Chlorovaleric Acid
CAS No: 1119-46-6 Catalog No: AG00349E MDL No:MFCD00004415
Product Description
Catalog Number:
AG00349E
Chemical Name:
5-Chlorovaleric Acid
CAS Number:
1119-46-6
Molecular Formula:
C5H9ClO2
Molecular Weight:
136.5768
MDL Number:
MFCD00004415
IUPAC Name:
5-chloropentanoic acid
InChI:
InChI=1S/C5H9ClO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)
InChI Key:
YSXDKDWNIPOSMF-UHFFFAOYSA-N
SMILES:
ClCCCCC(=O)O
EC Number:
214-279-3
Properties
Complexity:
72.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.029g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.575g/mol
Monoisotopic Mass:
136.029g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Synthesis of hapten and production of a monoclonal antibody against a derivative of L-hydroxyproline, a special amino acid in hydrolyzed animal protein. | Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes 20130101 |
| Development and validation of a specific and sensitive GC-FID method for the determination of impurities in 5-chlorovaleroyl chloride. | Journal of pharmaceutical and biomedical analysis 20101102 |
| Cooperative hydrogen bonds of macromolecules. 3. A model study of the proximity effect. | The journal of physical chemistry. B 20070607 |
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