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824958-22-7 | 1-Piperazinebutanoic acid, 4-(2-methoxyphenyl)-
CAS No: 824958-22-7 Catalog No: AG004VCC MDL No:
Product Description
Catalog Number:
AG004VCC
Chemical Name:
1-Piperazinebutanoic acid, 4-(2-methoxyphenyl)-
CAS Number:
824958-22-7
Molecular Formula:
C15H22N2O3
Molecular Weight:
278.3468
IUPAC Name:
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoic acid
InChI:
InChI=1S/C15H22N2O3/c1-20-14-6-3-2-5-13(14)17-11-9-16(10-12-17)8-4-7-15(18)19/h2-3,5-6H,4,7-12H2,1H3,(H,18,19)
InChI Key:
ZMGWBXYPANQXDV-UHFFFAOYSA-N
SMILES:
COc1ccccc1N1CCN(CC1)CCCC(=O)O
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.163g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.352g/mol
Monoisotopic Mass:
278.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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