| CAS Number | 205748-06-7 |
| Catalog Number | AG019N6U |
| Chemical Name | (2E)-3-(2,4,5-trimethylphenyl)prop-2-enoic acid |
| IUPAC Name | (E)-3-(2,4,5-trimethylphenyl)prop-2-enoic acid |
| InChI | InChI=1S/C12H14O2/c1-8-6-10(3)11(7-9(8)2)4-5-12(13)14/h4-7H,1-3H3,(H,13,14)/b5-4+ |
| InChI Key | OUSXTDXBZCOQIT-SNAWJCMRSA-N |
| MDL Number | MFCD00075865 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.2384 |
| SMILES | CC1=C(C)C=C(/C=C/C(O)=O)C(C)=C1 |
| Synonyms | 205748-06-7,
3-(2,4,5-trimethylphenyl)prop-2-enoic acid,
(2E)-3-(2,4,5-trimethylphenyl)prop-2-enoic acid,
(2E)-3-(2,4,5-trimethylphenyl)acrylic acid,
AC1Q2HVU,
SCHEMBL5888800,
ZINC2554881,
AKOS000126487,
NE51884,
NCGC00336211-01,
EN300-39549,
AB01331619-02,
Z2731710880,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 190.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.242g/mol |
| Monoisotopic Mass | 190.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number