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147722-75-6 | 1-Pyrrolidinecarboxylic acid, 3-hydroxy-4-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS No: 147722-75-6 Catalog No: AG001F67 MDL No:MFCD11558905
Product Description
Catalog Number:
AG001F67
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-hydroxy-4-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS Number:
147722-75-6
Molecular Formula:
C10H19NO4
Molecular Weight:
217.2622
MDL Number:
MFCD11558905
IUPAC Name:
tert-butyl 3-hydroxy-4-(hydroxymethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-4-7(6-12)8(13)5-11/h7-8,12-13H,4-6H2,1-3H3
InChI Key:
BSTWKRUNXOFBPE-UHFFFAOYSA-N
SMILES:
OCC1CN(CC1O)C(=O)OC(C)(C)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.265g/mol
Monoisotopic Mass:
217.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| A practical synthesis of (3R,4R)-N-tert-butoxycarbonyl-4-hydroxymethylpyrrolidin-3-ol. | Organic & biomolecular chemistry 20070907 |
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