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114214-69-6 | 1-Pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS No: 114214-69-6 Catalog No: AG000ASZ MDL No:MFCD02179040
Product Description
Catalog Number:
AG000ASZ
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS Number:
114214-69-6
Molecular Formula:
C10H19NO3
Molecular Weight:
201.2628
MDL Number:
MFCD02179040
IUPAC Name:
tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-5-4-8(6-11)7-12/h8,12H,4-7H2,1-3H3
InChI Key:
HKIGXXRMJFUUKV-UHFFFAOYSA-N
SMILES:
OCC1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.266g/mol
Monoisotopic Mass:
201.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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