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208191-16-6 | 1-Piperidinecarboxylic acid, 4-(2-bromoacetyl)-, 2-propen-1-yl ester
CAS No: 208191-16-6 Catalog No: AG002JK6 MDL No:
Product Description
Catalog Number:
AG002JK6
Chemical Name:
1-Piperidinecarboxylic acid, 4-(2-bromoacetyl)-, 2-propen-1-yl ester
CAS Number:
208191-16-6
Molecular Formula:
C11H16BrNO3
Molecular Weight:
290.1536
IUPAC Name:
prop-2-enyl 4-(2-bromoacetyl)piperidine-1-carboxylate
InChI:
InChI=1S/C11H16BrNO3/c1-2-7-16-11(15)13-5-3-9(4-6-13)10(14)8-12/h2,9H,1,3-8H2
InChI Key:
RUAORXZFNKJUHD-UHFFFAOYSA-N
SMILES:
BrCC(=O)C1CCN(CC1)C(=O)OCC=C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.157g/mol
Monoisotopic Mass:
289.031g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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