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1227465-48-6 | 4-Piperidinecarboxylic acid, 4-ethyl-
CAS No: 1227465-48-6 Catalog No: AG000J93 MDL No:MFCD16556109
Product Description
Catalog Number:
AG000J93
Chemical Name:
4-Piperidinecarboxylic acid, 4-ethyl-
CAS Number:
1227465-48-6
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
MDL Number:
MFCD16556109
IUPAC Name:
4-ethylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C8H15NO2/c1-2-8(7(10)11)3-5-9-6-4-8/h9H,2-6H2,1H3,(H,10,11)
InChI Key:
KXKKAGIATNDDON-UHFFFAOYSA-N
SMILES:
CCC1(CCNCC1)C(=O)O
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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