| CAS Number | 85680-64-4 |
| Catalog Number | AG004T58(AGN-PC-00KZYH) |
| Chemical Name | 3-Methoxy-4-(prop-2-ynyloxy)benzoic acid |
| IUPAC Name | 3-methoxy-4-prop-2-ynoxybenzoic acid |
| InChI | InChI=1S/C11H10O4/c1-3-6-15-9-5-4-8(11(12)13)7-10(9)14-2/h1,4-5,7H,6H2,2H3,(H,12,13) |
| InChI Key | JQBULVBEPSHSEW-UHFFFAOYSA-N |
| MDL Number | MFCD09944194 |
| Molecular Formula | C11H10O4 |
| Molecular Weight | 206.1947 |
| SMILES | COC1=C(OCC#C)C=CC(=C1)C(O)=O |
| Synonyms | 85680-64-4,
3-METHOXY-4-(PROP-2-YNYLOXY)BENZOIC ACID,
Benzoic acid, 3-methoxy-4-(2-propynyloxy)-,
SCHEMBL2286794,
CTK3C8409,
DTXSID00519501,
JQBULVBEPSHSEW-UHFFFAOYSA-N,
ZINC9237123,
5358AH,
MFCD09944194,
AKOS000185716,
4-(2-propynyloxy)-3-methoxybenzoic acid,
AS-30631,
FT-0707014,
3-methoxy-4-(prop-2-yn-1-yloxy)benzoic acid,
3-Methoxy-4-[(prop-2-yn-1-yl)oxy]benzoic acid,
F2158-1677,
C11H10O4,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.197g/mol |
| Monoisotopic Mass | 206.058g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number