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42093-97-0 | 2-(1-Piperidinyl)benzoic Acid
CAS No: 42093-97-0 Catalog No: AG003EPQ MDL No:MFCD00275762
Product Description
Catalog Number:
AG003EPQ
Chemical Name:
2-(1-Piperidinyl)benzoic Acid
CAS Number:
42093-97-0
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD00275762
IUPAC Name:
2-piperidin-1-ylbenzoic acid
InChI:
InChI=1S/C12H15NO2/c14-12(15)10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2,(H,14,15)
InChI Key:
TVEAZHOLMPKUGM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1N1CCCCC1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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