3-[4-(Acetyloxy)-3-methoxyphenyl]-2-propenoic acid
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3-[4-(Acetyloxy)-3-methoxyphenyl]-2-propenoic acid
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CAS No:
2596-47-6
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Formula:
C12H12O5
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Chemical Name:
3-[4-(Acetyloxy)-3-methoxyphenyl]-2-propenoic acid
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Synonyms:
2-Propenoic acid,3-[4-(acetyloxy)-3-methoxyphenyl]-;Cinnamic acid,4-hydroxy-3-methoxy-,acetate;3-[4-(Acetyloxy)-3-methoxyphenyl]-2-propenoic acid;3-Methoxy-4-acetoxycinnamic acid;Acetylferulic acid;4-Acetoxy-3-methoxycinnamic acid;Ferulic acid acetate;4-Acetyloxy-3-methoxycinnamic acid;3-(4-Acetoxy-3-methoxyphenyl)-2-propenoic acid;O-Acetylferulic acid;NSC 16957
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CAS No:
Description
ChEBI: An acetate ester obtained by the formal condensation of the phenolic group of ferulic acid with acetic acid.
Safety Information
III
IRRITANT
2811
R36/37/38
S26-S36/37/39
T,Xi
P261, P264, P270, P280, P285, P301+P312, P304+P341, P305+P351+P338, P330, P337+P313, P342+P311, P501
H302
2811
Computed Properties
Molecular Weight:236.22
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:236.06847348
Monoisotopic Mass:236.06847348
Topological Polar Surface Area:72.8
Heavy Atom Count:17
Complexity:310
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-[4-(Acetyloxy)-3-methoxyphenyl]-2-propenoic acid
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