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88974-30-5 | 2,4-Hexadienamide, N-(4,5-dihydro-4-oxo-2-thiazolyl)-, (E,E)-
CAS No: 88974-30-5 Catalog No: AG0046UL MDL No:
Product Description
Catalog Number:
AG0046UL
Chemical Name:
2,4-Hexadienamide, N-(4,5-dihydro-4-oxo-2-thiazolyl)-, (E,E)-
CAS Number:
88974-30-5
Molecular Formula:
C9H10N2O2S
Molecular Weight:
210.2529
IUPAC Name:
N-(4-oxo-1,3-thiazolidin-2-ylidene)hexa-2,4-dienamide
InChI:
InChI=1S/C9H10N2O2S/c1-2-3-4-5-7(12)10-9-11-8(13)6-14-9/h2-5H,6H2,1H3,(H,10,11,12,13)
InChI Key:
YWNSPXSMHNMXDI-UHFFFAOYSA-N
SMILES:
C/C=C/C=C/C(=O)NC1=NC(=O)CS1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.251g/mol
Monoisotopic Mass:
210.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.6
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