2-Propenoic acid, 3-(4-chlorophenyl)-, (2E)-


Chemical Name: 2-Propenoic acid, 3-(4-chlorophenyl)-, (2E)-
CAS Number: 940-62-5
Product Number: AG00GROC(AGN-PC-0ONSNT)
Synonyms:
MDL No:
Molecular Formula: C9H7ClO2
Molecular Weight: 182.60368

Identification/Properties


Computed Properties
Molecular Weight:
182.603g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
182.013g/mol
Monoisotopic Mass:
182.013g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
181
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#:
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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