Butanoic acid, 3-oxo-, 2-propenyl ester


Chemical Name: Butanoic acid, 3-oxo-, 2-propenyl ester
CAS Number: 1118-84-9
Product Number: AG007VDZ(AGN-PC-0JL9VF)
Synonyms:
MDL No:
Molecular Formula: C7H10O3
Molecular Weight: 142.1525

Identification/Properties


Computed Properties
Molecular Weight:
142.154g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
142.063g/mol
Monoisotopic Mass:
142.063g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
149
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:
Danger
UN#:
2810
Hazard Statements:
H301-H311-H315-H319
Precautionary Statements:
P280-P301+P310-P305+P351+P338-P312
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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