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163210-97-7 | Benzoic acid, 4-(1-piperazinyl)-, methyl ester
CAS No: 163210-97-7 Catalog No: AG001TVL MDL No:MFCD08234800
Product Description
Catalog Number:
AG001TVL
Chemical Name:
Benzoic acid, 4-(1-piperazinyl)-, methyl ester
CAS Number:
163210-97-7
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD08234800
IUPAC Name:
methyl 4-piperazin-1-ylbenzoate
InChI:
InChI=1S/C12H16N2O2/c1-16-12(15)10-2-4-11(5-3-10)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3
InChI Key:
BFFGYMOQOGMTBM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)N1CCNCC1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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