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1228537-69-6 | 1-Pyrrolidinecarboxylic acid, 3-cyano-3-methyl-, 1,1-dimethylethyl ester
CAS No: 1228537-69-6 Catalog No: AG000JLG MDL No:MFCD26406713
Product Description
Catalog Number:
AG000JLG
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-cyano-3-methyl-, 1,1-dimethylethyl ester
CAS Number:
1228537-69-6
Molecular Formula:
C11H18N2O2
Molecular Weight:
210.2728
MDL Number:
MFCD26406713
IUPAC Name:
tert-butyl 3-cyano-3-methylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C11H18N2O2/c1-10(2,3)15-9(14)13-6-5-11(4,7-12)8-13/h5-6,8H2,1-4H3
InChI Key:
IEDZZHAVRBUGQQ-UHFFFAOYSA-N
SMILES:
N#CC1(C)CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.137g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.277g/mol
Monoisotopic Mass:
210.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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