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L-4-Hydroxyproline methyl ester hydrochloride

CAT: 0024-sc-235461Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-235461Size:5 g
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CAS Number
40216-83-9

Chemical Information

4-Hydroxy-L-proline methyl ester hydrochloride

See also: L-4-hydroxy-methylprolinate chlorhydrate (annotation moved to).

CAS Number40216-83-9
PubChem CID11435319
IUPAC Namemethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
Molecular FormulaC6H12ClNO3
Molecular Weight181.62
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity137
SMILES
COC(=O)[C@@H]1C[C@H](CN1)O.Cl
InChI
InChI=1S/C6H11NO3.ClH/c1-10-6(9)5-2-4(8)3-7-5;/h4-5,7-8H,2-3H2,1H3;1H/t4-,5+;/m1./s1
InChIKey
KLGSHNXEUZOKHH-JBUOLDKXSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-L-proline methyl ester hydrochloride
CAS: 40216-83-9
CID: 11435319
Formula: C6H12ClNO3
MW: 181.62
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight181.62
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass181.0505709
Monoisotopic Mass181.0505709
Topological Polar Surface Area58.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity137
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes