2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, ethyl ester


Chemical Name: 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, ethyl ester
CAS Number: 102-37-4
Product Number: AG00068U(AGN-PC-00TTZE)
Synonyms:
MDL No:
Molecular Formula: C11H12O4
Molecular Weight: 208.2106

Identification/Properties


Computed Properties
Molecular Weight:
208.213g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
208.074g/mol
Monoisotopic Mass:
208.074g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
237
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-H315-H319-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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