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1236007-42-3 | 1-Pyrrolidinecarboxylic acid, 3-mercapto-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1236007-42-3 Catalog No: AG000KTU MDL No:MFCD16036705
Product Description
Catalog Number:
AG000KTU
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-mercapto-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1236007-42-3
Molecular Formula:
C9H17NO2S
Molecular Weight:
203.3018
MDL Number:
MFCD16036705
IUPAC Name:
tert-butyl (3R)-3-sulfanylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C9H17NO2S/c1-9(2,3)12-8(11)10-5-4-7(13)6-10/h7,13H,4-6H2,1-3H3/t7-/m1/s1
InChI Key:
QZVCJLUVFPPQLX-SSDOTTSWSA-N
SMILES:
S[C@@H]1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
203.098g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.3g/mol
Monoisotopic Mass:
203.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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