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1363383-17-8 | 1-Piperidinecarboxylic acid, 4-ethynyl-4-methyl-, 1,1-dimethylethyl ester
CAS No: 1363383-17-8 Catalog No: AG0011RO MDL No:MFCD20926166
Product Description
Catalog Number:
AG0011RO
Chemical Name:
1-Piperidinecarboxylic acid, 4-ethynyl-4-methyl-, 1,1-dimethylethyl ester
CAS Number:
1363383-17-8
Molecular Formula:
C13H21NO2
Molecular Weight:
223.3113
MDL Number:
MFCD20926166
IUPAC Name:
tert-butyl 4-ethynyl-4-methylpiperidine-1-carboxylate
InChI:
InChI=1S/C13H21NO2/c1-6-13(5)7-9-14(10-8-13)11(15)16-12(2,3)4/h1H,7-10H2,2-5H3
InChI Key:
KVSMRAKIKMZNAH-UHFFFAOYSA-N
SMILES:
C#CC1(C)CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.316g/mol
Monoisotopic Mass:
223.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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