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481704-21-6 | (2R,4S)-Methyl 4-hydroxypyrrolidine-2-carboxylate hydrochloride
CAS No: 481704-21-6 Catalog No: AG0039U0 MDL No:MFCD00135747
Product Description
Catalog Number:
AG0039U0
Chemical Name:
(2R,4S)-Methyl 4-hydroxypyrrolidine-2-carboxylate hydrochloride
CAS Number:
481704-21-6
Molecular Formula:
C6H12ClNO3
Molecular Weight:
181.6174
MDL Number:
MFCD00135747
IUPAC Name:
methyl (2R,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-UYXJWNHNSA-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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