2-Propenoic acid, 3-(3-fluorophenyl)-, (2E)-


Chemical Name: 2-Propenoic acid, 3-(3-fluorophenyl)-, (2E)-
CAS Number: 20595-30-6
Product Number: AG002AFL(AGN-PC-0O7K0Q)
Synonyms:
MDL No: MFCD00004383
Molecular Formula: C9H7FO2
Molecular Weight: 166.1491

Identification/Properties


Computed Properties
Molecular Weight:
166.151g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
166.043g/mol
Monoisotopic Mass:
166.043g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
189
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:
Danger
UN#:
2811
Hazard Statements:
H301-H315-H319-H335
Precautionary Statements:
P261-P301+P310-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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