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1219832-34-4 | 1-Piperidinecarboxylic acid, 3-cyano-3-hydroxy-, 1,1-dimethylethyl ester
CAS No: 1219832-34-4 Catalog No: AG0016HN MDL No:MFCD21362392
Product Description
Catalog Number:
AG0016HN
Chemical Name:
1-Piperidinecarboxylic acid, 3-cyano-3-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
1219832-34-4
Molecular Formula:
C11H18N2O3
Molecular Weight:
226.2722
MDL Number:
MFCD21362392
IUPAC Name:
tert-butyl 3-cyano-3-hydroxypiperidine-1-carboxylate
InChI:
InChI=1S/C11H18N2O3/c1-10(2,3)16-9(14)13-6-4-5-11(15,7-12)8-13/h15H,4-6,8H2,1-3H3
InChI Key:
ZVWLCTCSBSNDIR-UHFFFAOYSA-N
SMILES:
N#CC1(O)CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.276g/mol
Monoisotopic Mass:
226.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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