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1260614-71-8 | 1-Pyrrolidinecarboxylic acid, 2-(2-cyanoacetyl)-, 1,1-dimethylethyl ester, (2R)-
CAS No: 1260614-71-8 Catalog No: AG000QW6 MDL No:
Product Description
Catalog Number:
AG000QW6
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(2-cyanoacetyl)-, 1,1-dimethylethyl ester, (2R)-
CAS Number:
1260614-71-8
Molecular Formula:
C12H18N2O3
Molecular Weight:
238.2829
IUPAC Name:
tert-butyl (2R)-2-(2-cyanoacetyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14-8-4-5-9(14)10(15)6-7-13/h9H,4-6,8H2,1-3H3/t9-/m1/s1
InChI Key:
MTGZWGYHTWLMSR-SECBINFHSA-N
SMILES:
N#CCC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
238.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.287g/mol
Monoisotopic Mass:
238.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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