| CAS Number | 1138-41-6 |
| Catalog Number | AG008W7N(AGN-PC-0JRB9R) |
| Chemical Name | 4-Hydroxy-3-prenylbenzoic Acid |
| IUPAC Name | 4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid |
| InChI | InChI=1S/C12H14O3/c1-8(2)3-4-9-7-10(12(14)15)5-6-11(9)13/h3,5-7,13H,4H2,1-2H3,(H,14,15) |
| InChI Key | LBSJJNAMGVDGCU-UHFFFAOYSA-N |
| MDL Number | MFCD22054365 |
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.2378 |
| SMILES | OC1=C(C=C(C(=O)O)C=C1)CC=C(C)C |
| Synonyms | 4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid,
4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid,
1138-41-6,
3-dimethylallyl-4-hydroxybenzoic acid,
4-hydroxy-3-prenylbenzoic acid,
CHEBI:31111,
3-Dimethylallyl-4-hydroxybenzoate,
C12458,
AC1L9FC3,
CHEBI:1845,
CHEMBL452154,
SCHEMBL1607531,
3-Prenyl-4-hydroxybenzoic acid,
LBSJJNAMGVDGCU-UHFFFAOYSA-N,
4-hydroxy-3-polyprenylbenzoic acid,
ZINC4654776,
AKOS022648670,
NCGC00385936-01!4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid,
CID443852,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.241g/mol |
| Monoisotopic Mass | 206.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number