| CAS Number | 1181615-23-5 |
| Catalog Number | AG00JSV6(AGN-PC-0WONZ2) |
| Chemical Name | 3-(4-Ethylphenyl)prop-2-ynoic acid |
| IUPAC Name | 3-(4-ethylphenyl)prop-2-ynoic acid |
| InChI | InChI=1S/C11H10O2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h3-6H,2H2,1H3,(H,12,13) |
| InChI Key | HAXWPFGDNUPJJM-UHFFFAOYSA-N |
| MDL Number | MFCD11934664 |
| Molecular Formula | C11H10O2 |
| Molecular Weight | 174.1959 |
| SMILES | C(#CC(=O)O)c1ccc(CC)cc1 |
| Synonyms | 3-(4-ethylphenyl)prop-2-ynoic acid,
1181615-23-5,
(4-Ethylphenyl)propiolic acid,
SCHEMBL5244558,
3-(4-ethylphenyl)propiolic acid,
KS-00001KLR,
MFCD11934664,
ZINC32006727,
AKOS012950917,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.199g/mol |
| Monoisotopic Mass | 174.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number