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77738-09-1 | 3,5-Pyrazolidinedione, 1-phenyl-4-(2-thienylmethylene)-
CAS No: 77738-09-1 Catalog No: AG005G1T MDL No:
Product Description
Catalog Number:
AG005G1T
Chemical Name:
3,5-Pyrazolidinedione, 1-phenyl-4-(2-thienylmethylene)-
CAS Number:
77738-09-1
Molecular Formula:
C14H10N2O2S
Molecular Weight:
270.3064
IUPAC Name:
1-phenyl-4-(thiophen-2-ylmethylidene)pyrazolidine-3,5-dione
InChI:
InChI=1S/C14H10N2O2S/c17-13-12(9-11-7-4-8-19-11)14(18)16(15-13)10-5-2-1-3-6-10/h1-9H,(H,15,17)
InChI Key:
VYMOXHRGVXEVOZ-UHFFFAOYSA-N
SMILES:
O=C1NN(C(=O)C1=Cc1cccs1)c1ccccc1
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.306g/mol
Monoisotopic Mass:
270.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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