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1159982-27-0 | 1-Piperidinecarboxylic acid, 3-(cyanomethylene)-, 1,1-dimethylethyl ester
CAS No: 1159982-27-0 Catalog No: AG000HFB MDL No:MFCD09908276
Product Description
Catalog Number:
AG000HFB
Chemical Name:
1-Piperidinecarboxylic acid, 3-(cyanomethylene)-, 1,1-dimethylethyl ester
CAS Number:
1159982-27-0
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
MDL Number:
MFCD09908276
IUPAC Name:
tert-butyl 3-(cyanomethylidene)piperidine-1-carboxylate
InChI:
InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-8-4-5-10(9-14)6-7-13/h6H,4-5,8-9H2,1-3H3
InChI Key:
SNIXSVYUUCIRRS-UHFFFAOYSA-N
SMILES:
N#CC=C1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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