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116544-07-1 | 1-Piperidinecarboxylic acid, 4-ethenyl-3-methoxy-, ethyl ester, trans- (9CI)
CAS No: 116544-07-1 Catalog No: AG000CQS MDL No:
Product Description
Catalog Number:
AG000CQS
Chemical Name:
1-Piperidinecarboxylic acid, 4-ethenyl-3-methoxy-, ethyl ester, trans- (9CI)
CAS Number:
116544-07-1
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
IUPAC Name:
ethyl 4-ethenyl-3-methoxypiperidine-1-carboxylate
InChI:
InChI=1S/C11H19NO3/c1-4-9-6-7-12(8-10(9)14-3)11(13)15-5-2/h4,9-10H,1,5-8H2,2-3H3
InChI Key:
NDWAVAMXRRHBSZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CC[C@H]([C@@H](C1)OC)C=C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.277g/mol
Monoisotopic Mass:
213.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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