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820238-72-0 | 3,5-Pyrazolidinedione, 4-[(2,3-dimethyl-4-pentylphenyl)methylene]-
CAS No: 820238-72-0 Catalog No: AG0053BZ MDL No:
Product Description
Catalog Number:
AG0053BZ
Chemical Name:
3,5-Pyrazolidinedione, 4-[(2,3-dimethyl-4-pentylphenyl)methylene]-
CAS Number:
820238-72-0
Molecular Formula:
C17H22N2O2
Molecular Weight:
286.3688
IUPAC Name:
4-[(2,3-dimethyl-4-pentylphenyl)methylidene]pyrazolidine-3,5-dione
InChI:
InChI=1S/C17H22N2O2/c1-4-5-6-7-13-8-9-14(12(3)11(13)2)10-15-16(20)18-19-17(15)21/h8-10H,4-7H2,1-3H3,(H,18,20)(H,19,21)
InChI Key:
QLOLJAYRWWYZBM-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(c(c1C)C)C=C1C(=O)NNC1=O
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.168g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.375g/mol
Monoisotopic Mass:
286.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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