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1103191-48-5 | 1-(2-Cyanophenyl)piperidine-2-carboxylic acid
CAS No: 1103191-48-5 Catalog No: AG01FOBL MDL No:
Product Description
Catalog Number:
AG01FOBL
Chemical Name:
1-(2-Cyanophenyl)piperidine-2-carboxylic acid
CAS Number:
1103191-48-5
IUPAC Name:
1-(2-cyanophenyl)piperidine-2-carboxylic acid
InChI:
InChI=1S/C13H14N2O2/c14-9-10-5-1-2-6-11(10)15-8-4-3-7-12(15)13(16)17/h1-2,5-6,12H,3-4,7-8H2,(H,16,17)
InChI Key:
JBCBESZQNNHZPA-UHFFFAOYSA-N
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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