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1381944-32-6 | [1,1'-Biphenyl]-3-acetic acid, 4'-(1-piperidinylcarbonyl)-
CAS No: 1381944-32-6 Catalog No: AG00185W MDL No:MFCD22375065
Product Description
Catalog Number:
AG00185W
Chemical Name:
[1,1'-Biphenyl]-3-acetic acid, 4'-(1-piperidinylcarbonyl)-
CAS Number:
1381944-32-6
Molecular Formula:
C20H21NO3
Molecular Weight:
323.3856
MDL Number:
MFCD22375065
IUPAC Name:
2-[3-[4-(piperidine-1-carbonyl)phenyl]phenyl]acetic acid
InChI:
InChI=1S/C20H21NO3/c22-19(23)14-15-5-4-6-18(13-15)16-7-9-17(10-8-16)20(24)21-11-2-1-3-12-21/h4-10,13H,1-3,11-12,14H2,(H,22,23)
InChI Key:
KMYKGIFEUAGYQU-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1)c1ccc(cc1)C(=O)N1CCCCC1
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.392g/mol
Monoisotopic Mass:
323.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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