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144146-94-1 | 3-Pyrazolidinone, 2-(3,4-dimethoxyphenyl)-
CAS No: 144146-94-1 Catalog No: AG001IZR MDL No:
Product Description
Catalog Number:
AG001IZR
Chemical Name:
3-Pyrazolidinone, 2-(3,4-dimethoxyphenyl)-
CAS Number:
144146-94-1
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
IUPAC Name:
2-(3,4-dimethoxyphenyl)pyrazolidin-3-one
InChI:
InChI=1S/C11H14N2O3/c1-15-9-4-3-8(7-10(9)16-2)13-11(14)5-6-12-13/h3-4,7,12H,5-6H2,1-2H3
InChI Key:
YTXTYZIYTYMKIG-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)N1NCCC1=O
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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