1,3-Diethenylbenzene
PubChem CID: 7941
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| Compound Synonyms | 1,3-Divinylbenzene, 108-57-6, m-Divinylbenzene, 1,3-Diethenylbenzene, m-Vinylstyrene, Benzene, 1,3-diethenyl-, 1,3-bis(ethenyl)benzene, Benzene, m-divinyl-, m-Divinylbenzen, m-Divinylbenzen [Czech], EINECS 203-595-7, 4S46QL2WFU, BRN 1848732, DTXSID30110020, 3-05-00-01367 (Beilstein Handbook Reference), MFCD00008618, 1,3-Divinylbenzene (Stabilized with TBC), m-Divinyl benzene, UNII-4S46QL2WFU, 1,3-Diethenylbenzene, 1,3-Bis(ethenyl)benzene, 1,3-Divinylbenzene, 3-Vinylstyrene, m-Divinylbenzene, m-Vinylstyrene, 1,3-divinyl-benzene, 1,3-diethenyl-Benzene, DTXCID108939, Benzene, 1,3-diethenyl-(9CI), CHEBI:229377, AAA10857, AKOS006230500, GS-6364, CS-0186300, NS00007178, EN300-125212, H10228, Q1983124, 203-595-7 |
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| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 110.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-bis(ethenyl)benzene |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Is Pains | False |
| Molecular Formula | C10H10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PRJNEUBECVAVAG-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 1,3-Diethenylbenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 130.078 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 130.078 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 130.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5358779999999994 |
| Inchi | InChI=1S/C10H10/c1-3-9-6-5-7-10(4-2)8-9/h3-8H,1-2H2 |
| Smiles | C=CC1=CC(=CC=C1)C=C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients