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100939-91-1 | Methanone, (3-methylphenyl)-1-piperazinyl-
CAS No: 100939-91-1 Catalog No: AG00039K MDL No:MFCD04116565
Product Description
Catalog Number:
AG00039K
Chemical Name:
Methanone, (3-methylphenyl)-1-piperazinyl-
CAS Number:
100939-91-1
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
MDL Number:
MFCD04116565
IUPAC Name:
(3-methylphenyl)-piperazin-1-ylmethanone
InChI:
InChI=1S/C12H16N2O/c1-10-3-2-4-11(9-10)12(15)14-7-5-13-6-8-14/h2-4,9,13H,5-8H2,1H3
InChI Key:
YHGUVIUZDTUVKZ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C(=O)N1CCNCC1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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