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trans-beta-Methylstyrene

PubChem CID: 252325

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Compound Synonyms trans-beta-Methylstyrene, beta-Methylstyrene, 873-66-5, 637-50-3, Isoallylbenzene, 1-Phenylpropene, Propenylbenzene, trans-1-Phenyl-1-propene, 1-Propenylbenzene, Prop-1-en-1-ylbenzene, trans-Propenylbenzene, 1-Phenyl-1-propene, Benzene, 1-propenyl-, [(E)-prop-1-enyl]benzene, trans-1-Propenylbenzene, 1-Propene, 1-phenyl-, benzene, (1E)-1-propenyl-, Propenylbenzene-trans, trans-1-Phenylpropene, (E)-1-Phenylpropene, trans-phenylpropene, trans-Propenyl benzene, trans-, A-Methylstyrene, Benzene, 1-propenyl-, (E)-, NSC 65591, .beta.-Methylstyrol, (E)-Prop-1-en-1-ylbenzene, .beta.-Methylstyrene, Propenyl benzene, .omega.-Methylstyrene, BETA-METHYL STYRENE, A5S9N1785O, NSC-73958, beta-Methylstyrol, (E)-beta-Methylstyrene, (E)-1-Propenylbenzene, trans-b-Methylstyrene (Stabilized with 3,5-di-tert-butylcatechol), MFCD00009280, 1-Propen-1-ylbenzene, Styrene, beta-methyl-, (E)-, HSDB 6504, BENZENE, PROPENYL-, (E)-, EINECS 211-287-9, EINECS 212-848-0, NSC 73958, beta-Methylstyrene, trans-, (E)-1-Phenyl-1-propene, Benzene, propenyl- (VAN), BRN 1361672, BRN 1679279, a-methylstyrol, UNII-9367GUB59O, UNII-A5S9N1785O, ss-methylstyrene, benzene-trans-propenyl, trans-?-Methylstyrene, Styrene, (E)-, beta-trans-methylstyrene, trans- beta -Methylstyrene, trans-.beta.-Methylstyrene, beta-Methylstyrene (racemic), 3-05-00-01185 (Beilstein Handbook Reference), 4-05-00-01359 (Beilstein Handbook Reference), WLN: 2U1R, [(E)-prop-1-enyl]-benzene, 1-Phenyl-1-propene, trans-, CHEMBL506013, trans-beta-Methylstyrene, 99%, (1E)-prop-1-en-1-ylbenzene, CHEBI:229144, 9367GUB59O, DTXSID101026543, Styrene, .beta.-methyl-, (E)-, NSC65591, NSC73958, NSC-65591, .BETA.-METHYLSTYRENE, TRANS-, METHYLSTYRENE, TRANS-.BETA.-, AKOS015840399, AKOS025311179, ?-Methylstyrene (stabilized with TBC), CS-15941, FT166057, CS-0069845, M1175, NS00035545, H10852, 10.14272/QROGIFZRVHSFLM-QHHAFSJGSA-N.1, doi:10.14272/QROGIFZRVHSFLM-QHHAFSJGSA-N.1, Q2020228, F0001-2173, InChI=1/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 9.0
Isotope Atom Count 0.0
Molecular Complexity 86.2
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name [(E)-prop-1-enyl]benzene
Prediction Hob 1.0
Xlogp 3.2
Molecular Formula C9H10
Prediction Swissadme 0.0
Inchi Key QROGIFZRVHSFLM-QHHAFSJGSA-N
Fcsp3 0.1111111111111111
Logs -2.533
Rotatable Bond Count 1.0
Logd 2.658
Compound Name trans-beta-Methylstyrene
Prediction Hob Swissadme 0.0
Exact Mass 118.078
Formal Charge 0.0
Monoisotopic Mass 118.078
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 118.18
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -3.110543133333333
Inchi InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2+
Smiles C/C=C/C1=CC=CC=C1
Nring 1.0
Defined Bond Stereocenter Count 1.0

  • 1. Outgoing r'ship FOUND_IN to/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Inula Grandis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Inula Helenium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Inula Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Inula Royleana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Liquidambar Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Saussurea Costus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Saussurea Lappa (Plant) Rel Props:Source_db:npass_chem_all
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