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1018-74-2 | 3-Pyrazolidinone, 5-methoxy-4,4-dimethyl-1-phenyl-
CAS No: 1018-74-2 Catalog No: AG0005LM MDL No:
Product Description
Catalog Number:
AG0005LM
Chemical Name:
3-Pyrazolidinone, 5-methoxy-4,4-dimethyl-1-phenyl-
CAS Number:
1018-74-2
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
5-methoxy-4,4-dimethyl-1-phenylpyrazolidin-3-one
InChI:
InChI=1S/C12H16N2O2/c1-12(2)10(15)13-14(11(12)16-3)9-7-5-4-6-8-9/h4-8,11H,1-3H3,(H,13,15)
InChI Key:
KZSXILXNTCWJJL-UHFFFAOYSA-N
SMILES:
COC1N(NC(=O)C1(C)C)c1ccccc1
NSC Number:
126758
Properties
Complexity:
272
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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