200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 157977-91-8
157977-91-8 | 2-Piperazinone, 3-(4-methylphenyl)-
CAS No: 157977-91-8 Catalog No: AG001PV4 MDL No:MFCD07373558
Product Description
Catalog Number:
AG001PV4
Chemical Name:
2-Piperazinone, 3-(4-methylphenyl)-
CAS Number:
157977-91-8
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
MDL Number:
MFCD07373558
IUPAC Name:
3-(4-methylphenyl)piperazin-2-one
InChI:
InChI=1S/C11H14N2O/c1-8-2-4-9(5-3-8)10-11(14)13-7-6-12-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)
InChI Key:
RXFUIHADWKAZNF-UHFFFAOYSA-N
SMILES:
O=C1NCCNC1c1ccc(cc1)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.