2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-


Chemical Name: 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-
CAS Number: 2373-80-0
Product Number: AG003BAQ(AGN-PC-0JKD5V)
Synonyms:
MDL No:
Molecular Formula: C10H8O4
Molecular Weight: 192.1681

Identification/Properties


Properties
MP:
242-244 °C (dec.)(lit.)
BP:
361.5°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.4440 (estimate)
Computed Properties
Molecular Weight:
192.17g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
192.042g/mol
Monoisotopic Mass:
192.042g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
249
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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