4-(3H-1,3-thiazol-2-ylidene)cyclohexa-2,5-dien-1-one


Chemical Name: 4-(3H-1,3-thiazol-2-ylidene)cyclohexa-2,5-dien-1-one
CAS Number: 81015-49-8
Product Number: AG00G29R(AGN-PC-0LQB0N)
Synonyms:
MDL No:
Molecular Formula: C9H7NOS
Molecular Weight: 177.2230

Identification/Properties


Computed Properties
Molecular Weight:
177.221g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
177.025g/mol
Monoisotopic Mass:
177.025g/mol
Topological Polar Surface Area:
61.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
146
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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