Allyl Cinnamate
PubChem CID: 641423
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| Compound Synonyms | Allyl cinnamate, 1866-31-5, Propenyl cinnamate, Allyl 3-phenylacrylate, Vinyl carbinyl cinnamate, CINNAMIC ACID, ALLYL ESTER, Allyl 3-phenyl-2-propenoate, 2-Propenoic acid, 3-phenyl-, 2-propenyl ester, Allyl beta-phenylacrylate, FEMA No. 2022, Cinnamic Acid Allyl Ester, Allylester kyseliny skoricove, NSC 20972, 2-Propen-1-yl 3-phenyl-2-propenoate, prop-2-enyl (E)-3-phenylprop-2-enoate, 2-Propenyl 3-phenyl-2-propenoate, EINECS 217-477-8, Allylester kyseliny skoricove [Czech], 2-Propenoic acid, 3-phenyl-, 2-propen-1-yl ester, AI3-02313, MFCD00026105, NSC-20972, 56289-56-6, N8149Z51V9, ALLYL CINNAMATE [FHFI], Allyl (E)-3-phenylprop-2-enoate, ALLYL .BETA.-PHENYLACRYLATE, trans-Allyl cinnamate, DTXSID8047509, UNII-N8149Z51V9, trans-Allylcinnamate, prop-2-en-1-yl (2Z)-3-phenylprop-2-enoate, Allyl cinnamate, >=99%, SCHEMBL45456, WLN: 1U2OV1U1R, trans-cinnamic acid allyl ester, CHEMBL2268886, DTXCID6027509, CHEBI:191535, DTXSID301021113, NSC20972, Allyl cinnamate, analytical standard, AKOS015894422, Allyl Cinnamate (stabilized with TBC), (E)-3-phenyl-acrylic acid allyl ester, CS-W016797, DS-6431, LS-14063, NS00011939, 2-Propen-1-yl (2E)-3-phenyl-2-propenoate, Q27284688, 2-aPropenoic acid, 3-aphenyl-a, 2-apropen-a1-ayl ester, (2E)a-, 217-477-8, InChI=1/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2/b9-8 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | prop-2-enyl (E)-3-phenylprop-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C12H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KCMITHMNVLRGJU-CMDGGOBGSA-N |
| Fcsp3 | 0.0833333333333333 |
| Logs | -3.534 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.36 |
| Compound Name | Allyl Cinnamate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 188.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 188.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 188.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.8589440571428573 |
| Inchi | InChI=1S/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2/b9-8+ |
| Smiles | C=CCOC(=O)/C=C/C1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Styrax Benzoin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all