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1170054-42-8 | 1-Piperidinecarboxylic acid, 4-(cyanophenylmethylene)-, 1,1-dimethylethyl ester
CAS No: 1170054-42-8 Catalog No: AG000DIR MDL No:MFCD14281947
Product Description
Catalog Number:
AG000DIR
Chemical Name:
1-Piperidinecarboxylic acid, 4-(cyanophenylmethylene)-, 1,1-dimethylethyl ester
CAS Number:
1170054-42-8
Molecular Formula:
C18H22N2O2
Molecular Weight:
298.3795
MDL Number:
MFCD14281947
IUPAC Name:
tert-butyl 4-[cyano(phenyl)methylidene]piperidine-1-carboxylate
InChI:
InChI=1S/C18H22N2O2/c1-18(2,3)22-17(21)20-11-9-15(10-12-20)16(13-19)14-7-5-4-6-8-14/h4-8H,9-12H2,1-3H3
InChI Key:
MJSPRJGSOLUTIJ-UHFFFAOYSA-N
SMILES:
N#CC(=C1CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.168g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.386g/mol
Monoisotopic Mass:
298.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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