| Phytochemical Name : 3,3-Dimethylacrylic acid |
| PCNDIDOT0696 |
| Pubchem CID : 10931 |
| Molecular formula: C5H8O2 |
| Canonical SMILES : CC(=CC(=O)O)C |
Synonymes : 3,3-Dimethylacrylic acid|3-methylbut-2-enoic acid|541-47-9|Senecioic acid|3-Methylcrotonic acid|3-METHYL-2-BUTENOIC ACID|2-Butenoic acid, 3-methyl-|SENECIC ACID|beta,beta-Dimethylacrylic acid|Crotonic acid, 3-methyl-|beta,beta-Dimethacrylic acid|beta-Methylcrotonic acid|3-methyl crotonic acid|FEMA No. 3187|3,3-Dimethyl acrylic acid|NSC 2549|Kyselina 3-methyl-2-butenova|beta,beta-dimethyl acrylic acid|UNII-EKV8I38F9I|methylcrotonic acid|3-methyl-but-2-enoic acid|EINECS 208-782-7|EKV8I38F9I|BRN 1720305|CHEBI:37127|AI3-23985|NSC-2549|MFCD00004366|NSC-97179|.beta.-Methylcrotonic acid|Kyselina 3-methyl-2-butenova [Czech]|3,3-DIMETHYACRYLIC ACID|DTXSID2047145|NSC2549|.beta.,.beta.-Dimethacrylic acid|EC 208-782-7|.beta.,.beta.-Dimethylacrylic acid|4-02-00-01555 (Beilstein Handbook Reference)|LMFA01020097|3-Methyl-2-butenoate|WLN: QV1UY1&1|3,3-dimethylacrylicacid|senecate|Senecioate|b-Methylcrotonate|3-Methylcrotonate|3-methyl-crotonate|beta-methylcrotonate|dimethylacrylic acid|b,b-Dimethylacrylate|b-Methylcrotonic acid|3,3-Dimethylacrylate|3-methyl-Crotonic acid|beta,beta-dimethacrylate|b,b-Dimethylacrylic acid|3-methylbut-2-enoicacid|beta,beta-dimethylacrylate|beta-Methylcrotonic acid;|bmse000581|(CH3)2C=CHCOOH|3-methyl but-2-enoic acid|SCHEMBL58395|3-Methylbut-2-enoic acid #|CHEMBL115725|F3308-0464|DTXCID0027145|SCHEMBL15940318|38880_FLUKA|3,3-Dimethylacrylic acid, 97%|BCP25289|NSC97179|STR03265|Tox21_302475|s6247|AKOS002251011|3-METHYL CROTONIC ACID [FHFI]|CS-W011327|HY-W010611|NCGC00256890-01|CAS-541-47-9|LS-55597|FT-0616149|M0543|EN300-20709|D78089|A935020|AE-848/32066036|Q-200334|Q27117043|Z104480144 |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.220 |
| Log Po/w (XLOGP3) : 1.240 |
| Log Po/w (WLOGP) : 1.040 |
| Log Po/w (MLOGP) : 0.790 |
| Log Po/w (SILICOS-IT) : 0.190 |
| Consensus Log Po/w : 0.890 |

