D-Proline, 1,1-dimethylethyl ester


Chemical Name: D-Proline, 1,1-dimethylethyl ester
CAS Number: 90071-62-8
Product Number: AG003AAX(AGN-PC-0OM8YB)
Synonyms:
MDL No: MFCD00083683
Molecular Formula: C9H17NO2
Molecular Weight: 171.2368

Identification/Properties


Computed Properties
Molecular Weight:
171.24g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
171.126g/mol
Monoisotopic Mass:
171.126g/mol
Topological Polar Surface Area:
38.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
172
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3082
Hazard Statements:
H302-H315-H318-H335-H411
Precautionary Statements:
P261-P264-P270-P271-P273-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338+P310-P332+P313-P362-P391-P403+P233-P405-P501
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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