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L-Proline methyl ester hydrochloride

CAT: 0862-GM3370-5gSize: 5 gDry Ice: NoHazardous: No
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CAT#:0862-GM3370-5gSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2133-40-6
EC Number
218-363-0
MDL Number
MFCD00012708
Purity
98.00%
Molecular Formula
C6H11NO2HCl
Molecular Weight
165.62
Storage Conditions
+4°C
Hazardous Class
Not hazardous

Chemical Information

methyl L-prolinate hydrochloride
CAS Number2133-40-6
PubChem CID2733200
IUPAC Namemethyl (2S)-pyrrolidine-2-carboxylate;hydrochloride
Molecular FormulaC6H12ClNO2
Molecular Weight165.62
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity114
SMILES
COC(=O)[C@@H]1CCCN1.Cl
InChI
InChI=1S/C6H11NO2.ClH/c1-9-6(8)5-3-2-4-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1
InChIKey
HQEIPVHJHZTMDP-JEDNCBNOSA-N
Chemical Structure
2D Structure
2D structure of methyl L-prolinate hydrochloride
CAS: 2133-40-6
CID: 2733200
Formula: C6H12ClNO2
MW: 165.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.62
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass165.0556563
Monoisotopic Mass165.0556563
Topological Polar Surface Area38.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity114
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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