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1153070-82-6 | 4-Piperidinecarboxylic acid, 1-[(2-cyanophenyl)methyl]-
CAS No: 1153070-82-6 Catalog No: AG000GKS MDL No:MFCD11914185
Product Description
Catalog Number:
AG000GKS
Chemical Name:
4-Piperidinecarboxylic acid, 1-[(2-cyanophenyl)methyl]-
CAS Number:
1153070-82-6
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
MDL Number:
MFCD11914185
IUPAC Name:
1-[(2-cyanophenyl)methyl]piperidine-4-carboxylic acid
InChI:
InChI=1S/C14H16N2O2/c15-9-12-3-1-2-4-13(12)10-16-7-5-11(6-8-16)14(17)18/h1-4,11H,5-8,10H2,(H,17,18)
InChI Key:
IBEJROZIQFJJDU-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CN1CCC(CC1)C(=O)O
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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