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1221-34-7 | 3-Pyrazolidinone, 4,4-dimethyl-1-(4-methylphenyl)-5-propoxy-
CAS No: 1221-34-7 Catalog No: AG0016RN MDL No:
Product Description
Catalog Number:
AG0016RN
Chemical Name:
3-Pyrazolidinone, 4,4-dimethyl-1-(4-methylphenyl)-5-propoxy-
CAS Number:
1221-34-7
Molecular Formula:
C15H22N2O2
Molecular Weight:
262.3474
IUPAC Name:
4,4-dimethyl-1-(4-methylphenyl)-5-propoxypyrazolidin-3-one
InChI:
InChI=1S/C15H22N2O2/c1-5-10-19-14-15(3,4)13(18)16-17(14)12-8-6-11(2)7-9-12/h6-9,14H,5,10H2,1-4H3,(H,16,18)
InChI Key:
PHEGOFFINWTBQQ-UHFFFAOYSA-N
SMILES:
CCCOC1N(NC(=O)C1(C)C)c1ccc(cc1)C
NSC Number:
128865
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.353g/mol
Monoisotopic Mass:
262.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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