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4-Methoxycinnamate methyl ester

PubChem CID: 92841

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Compound Synonyms Methyl p-methoxycinnamate, p-Methoxymethylcinnamate, 4-Methoxycinnamate methyl ester, methyl 3-(4-methoxyphenyl)prop-2-enoate, EINECS 212-614-8, NSC 26461, Cinnamate, methyl p-methoxy-, (E)-Methyl 4-methoxycinnamate, METHYL-4-METHOXYCINNAMATE, methyl-p-methoxycinnamate, Methyl p-methoxycinnamic acid, DTXSID401312296, DB-075905, Methyl 3-(4-methoxyphenyl)prop-2-enoic acid
Topological Polar Surface Area 35.5
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 14.0
Isotope Atom Count 0.0
Molecular Complexity 203.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name methyl 3-(4-methoxyphenyl)prop-2-enoate
Prediction Hob 1.0
Xlogp 2.6
Molecular Formula C11H12O3
Prediction Swissadme 0.0
Inchi Key VEZIKIAGFYZTCI-UHFFFAOYSA-N
Fcsp3 0.1818181818181818
Logs -2.837
Rotatable Bond Count 4.0
Logd 3.084
Compound Name 4-Methoxycinnamate methyl ester
Prediction Hob Swissadme 0.0
Exact Mass 192.079
Formal Charge 0.0
Monoisotopic Mass 192.079
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 192.21
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -2.9811696571428565
Inchi InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3
Smiles COC1=CC=C(C=C1)C=CC(=O)OC
Nring 1.0
Defined Bond Stereocenter Count 0.0

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