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29617-66-1 | Propanoic acid, 2-chloro-, (2S)-
CAS No: 29617-66-1 Catalog No: AG002YWR MDL No:MFCD00064205
Product Description
Catalog Number:
AG002YWR
Chemical Name:
Propanoic acid, 2-chloro-, (2S)-
CAS Number:
29617-66-1
Molecular Formula:
C3H5ClO2
Molecular Weight:
108.5236
MDL Number:
MFCD00064205
IUPAC Name:
(2S)-2-chloropropanoic acid
InChI:
InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1
InChI Key:
GAWAYYRQGQZKCR-REOHCLBHSA-N
SMILES:
C[C@@H](C(=O)O)Cl
UNII:
PCC7J322CM
UN Number:
2511
Properties
Complexity:
61.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
107.998g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
108.521g/mol
Monoisotopic Mass:
107.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Synthesis of a peroxime proliferator activated receptor (PPAR) alpha/gamma agonist via stereocontrolled Williamson ether synthesis and stereospecific SN2 reaction of S-2-chloro propionic acid with phenoxides. | The Journal of organic chemistry 20050610 |
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