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866019-15-0 | 4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile
CAS No: 866019-15-0 Catalog No: AG00IPFL MDL No:MFCD03787142
Product Description
Catalog Number:
AG00IPFL
Chemical Name:
4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile
CAS Number:
866019-15-0
Molecular Formula:
C12H10N2O2S
Molecular Weight:
246.2850
MDL Number:
MFCD03787142
IUPAC Name:
4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile
InChI:
InChI=1S/C12H10N2O2S/c1-14-11(15)10(17-12(14)16)6-8-2-4-9(7-13)5-3-8/h2-5,10H,6H2,1H3
InChI Key:
YJUDTODRMSCDNZ-UHFFFAOYSA-N
SMILES:
CN1C(=O)SC(C1=O)Cc1ccc(cc1)C#N
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.284g/mol
Monoisotopic Mass:
246.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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