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114676-59-4 | D-Proline, 4-hydroxy-, methyl ester, hydrochloride (1:1), (4R)-
CAS No: 114676-59-4 Catalog No: AG000F10 MDL No:MFCD00082536
Product Description
Catalog Number:
AG000F10
Chemical Name:
D-Proline, 4-hydroxy-, methyl ester, hydrochloride (1:1), (4R)-
CAS Number:
114676-59-4
Molecular Formula:
C6H12ClNO3
Molecular Weight:
181.6174
MDL Number:
MFCD00082536
IUPAC Name:
methyl (2R,4R)-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-;/m1./s1
InChI Key:
KLGSHNXEUZOKHH-TYSVMGFPSA-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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