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40126-30-5 | Methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate hydrochloride
CAS No: 40126-30-5 Catalog No: AG003552 MDL No:MFCD00237835
Product Description
Catalog Number:
AG003552
Chemical Name:
Methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate hydrochloride
CAS Number:
40126-30-5
Molecular Formula:
C6H12ClNO3
Molecular Weight:
181.6174
MDL Number:
MFCD00237835
IUPAC Name:
methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
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-;/m0./s1
InChI Key:
KLGSHNXEUZOKHH-FHAQVOQBSA-N
SMILES:
COC(=O)[C@@H]1C[C@@H](CN1)O.Cl
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
181.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.616g/mol
Monoisotopic Mass:
181.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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