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(S)-(-)-2-Chloropropionic Acid

CAT: 0572-TRC-C379700-2GSize: 2 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-C379700-2GSize:2 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
29617-66-1
Hazard Statement
Harmful if swallowed; UN number: UN2511; Packing Group: III
Smiles
C[C@H](Cl)C(=O)O
Molecular Formula
C3 H5 Cl O2
Molecular Weight
108.52
InChI
InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1
Additionnal Information
IUPAC name: (2S)-2-chloropropanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(S)-(-)-2-Chloropropionic acid

(S)-2-chloropropanoic acid is a monocarboxylic acid that is propanoic acid substituted at position 2 by a chloro group (the S-enantiomer). It has a role as a neurotoxin. It is a monocarboxylic acid and a chlorocarboxylic acid. It is functionally related to a propionic acid. It is a conjugate acid of a (S)-2-chloropropanoate.

CAS Number29617-66-1
PubChem CID107915
IUPAC Name(2S)-2-chloropropanoic acid
Molecular FormulaC3H5ClO2
Molecular Weight108.52
XLogP0.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity61
SMILES
C[C@@H](C(=O)O)Cl
InChI
InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1
InChIKey
GAWAYYRQGQZKCR-REOHCLBHSA-N
Chemical Structure
2D Structure
2D structure of (S)-(-)-2-Chloropropionic acid
CAS: 29617-66-1
CID: 107915
Formula: C3H5ClO2
MW: 108.52
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight108.52
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass107.9978071
Monoisotopic Mass107.9978071
Topological Polar Surface Area37.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity61.8
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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