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627-00-9 | 4-Chlorobutanoic acid
CAS No: 627-00-9 Catalog No: AG003L72 MDL No:MFCD00002818
Product Description
Catalog Number:
AG003L72
Chemical Name:
4-Chlorobutanoic acid
CAS Number:
627-00-9
Molecular Formula:
C4H7ClO2
Molecular Weight:
122.5502
MDL Number:
MFCD00002818
IUPAC Name:
4-chlorobutanoic acid
InChI:
InChI=1S/C4H7ClO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)
InChI Key:
IPLKGJHGWCVSOG-UHFFFAOYSA-N
SMILES:
ClCCCC(=O)O
EC Number:
210-977-7
Properties
Complexity:
62.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.013g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
122.548g/mol
Monoisotopic Mass:
122.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| 4-[(2-Carb-oxy-eth-yl)amino]-benzoic acid monohydrate. | Acta crystallographica. Section E, Structure reports online 20120401 |
| Synthesis, solution, and structural characterization of tetrahydrofuranyl-2,2-bisphosphonic acid disodium salt. | Bioinorganic chemistry and applications 20100101 |
| Part I. Identifying anthropogenic markers in surface waters influenced by treated effluents: a tool in potable water reuse. | Water research 20050301 |
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