2-Propenoic acid,3-(2,4-dimethylphenyl)-


Chemical Name: 2-Propenoic acid,3-(2,4-dimethylphenyl)-
CAS Number: 1685-80-9
Product Number: AG001Y47(AGN-PC-0Q98R8)
Synonyms:
MDL No:
Molecular Formula: C11H12O2
Molecular Weight: 176.2118

Identification/Properties


Computed Properties
Molecular Weight:
176.215g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
176.084g/mol
Monoisotopic Mass:
176.084g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
208
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H319
Precautionary Statements:
P280-P301+P312+P330-P305+P351+P338-P337+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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