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2133-40-6

2133-40-6 | Methyl L-prolinate hydrochloride

CAS No: 2133-40-6 Catalog No: AG0038W7 MDL No:MFCD00012708

Product Description

Catalog Number:
AG0038W7
Chemical Name:
Methyl L-prolinate hydrochloride
CAS Number:
2133-40-6
Molecular Formula:
C6H12ClNO2
Molecular Weight:
165.6180
MDL Number:
MFCD00012708
IUPAC Name:
methyl (2S)-pyrrolidine-2-carboxylate;hydrochloride
InChI:
InChI=1S/C6H11NO2.ClH/c1-9-6(8)5-3-2-4-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1
InChI Key:
HQEIPVHJHZTMDP-JEDNCBNOSA-N
SMILES:
COC(=O)[C@@H]1CCCN1.Cl
EC Number:
218-363-0
UNII:
7LWL7P890M

Properties

Complexity:
114  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
165.056g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
165.617g/mol
Monoisotopic Mass:
165.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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