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198892-80-7 | 1-Piperidinecarboxylic acid, 4-(2-hydroxyethylidene)-, 1,1-dimethylethyl ester
CAS No: 198892-80-7 Catalog No: AG002BSQ MDL No:MFCD09910236
Product Description
Catalog Number:
AG002BSQ
Chemical Name:
1-Piperidinecarboxylic acid, 4-(2-hydroxyethylidene)-, 1,1-dimethylethyl ester
CAS Number:
198892-80-7
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD09910236
IUPAC Name:
tert-butyl 4-(2-hydroxyethylidene)piperidine-1-carboxylate
InChI:
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-7-4-10(5-8-13)6-9-14/h6,14H,4-5,7-9H2,1-3H3
InChI Key:
ZNAVZFXRZLNPFW-UHFFFAOYSA-N
SMILES:
OCC=C1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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