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100939-89-7 | Methanone, (3-methoxyphenyl)-1-piperazinyl-
CAS No: 100939-89-7 Catalog No: AG00039L MDL No:MFCD01829255
Product Description
Catalog Number:
AG00039L
Chemical Name:
Methanone, (3-methoxyphenyl)-1-piperazinyl-
CAS Number:
100939-89-7
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD01829255
IUPAC Name:
(3-methoxyphenyl)-piperazin-1-ylmethanone
InChI:
InChI=1S/C12H16N2O2/c1-16-11-4-2-3-10(9-11)12(15)14-7-5-13-6-8-14/h2-4,9,13H,5-8H2,1H3
InChI Key:
IPZDOXRVWBCKCE-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)N1CCNCC1
Properties
Complexity:
239
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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