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832739-59-0 | 3-Piperidinecarboxylicacid, 1-[(3-chlorophenyl)methyl]-
CAS No: 832739-59-0 Catalog No: AG004XHH MDL No:MFCD04969847
Product Description
Catalog Number:
AG004XHH
Chemical Name:
3-Piperidinecarboxylicacid, 1-[(3-chlorophenyl)methyl]-
CAS Number:
832739-59-0
Molecular Formula:
C13H16ClNO2
Molecular Weight:
253.7246
MDL Number:
MFCD04969847
IUPAC Name:
1-[(3-chlorophenyl)methyl]piperidine-3-carboxylic acid
InChI:
InChI=1S/C13H16ClNO2/c14-12-5-1-3-10(7-12)8-15-6-2-4-11(9-15)13(16)17/h1,3,5,7,11H,2,4,6,8-9H2,(H,16,17)
InChI Key:
XRSUIBQVHPLBDQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)Cc1cccc(c1)Cl
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.726g/mol
Monoisotopic Mass:
253.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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