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3-Phenylprop-2-enyl acetate

PubChem CID: 7660

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Compound Synonyms 3-phenylprop-2-enyl acetate, (E)-3-Phenylallyl Acetate, DTXSID2044765, MFCD00008722, (Acetoxymethyl)styrene, CHEMBL3185011, acetic acid 3-phenyl-allyl ester, AKOS032455783, NCGC00248267-01, SY033240, SY112956
Topological Polar Surface Area 26.3
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 13.0
Isotope Atom Count 0.0
Molecular Complexity 179.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 3-phenylprop-2-enyl acetate
Prediction Hob 1.0
Xlogp 2.3
Molecular Formula C11H12O2
Prediction Swissadme 0.0
Inchi Key WJSDHUCWMSHDCR-UHFFFAOYSA-N
Fcsp3 0.1818181818181818
Logs -2.182
Rotatable Bond Count 4.0
Logd 2.279
Compound Name 3-Phenylprop-2-enyl acetate
Prediction Hob Swissadme 0.0
Exact Mass 176.084
Formal Charge 0.0
Monoisotopic Mass 176.084
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 176.21
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -2.427571461538461
Inchi InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3
Smiles CC(=O)OCC=CC1=CC=CC=C1
Nring 1.0
Defined Bond Stereocenter Count 0.0