| CAS Number | 24331-07-5 |
| Catalog Number | AG006WA9(AGN-PC-0K79QB) |
| Chemical Name | 4-(2-methylphenoxy)butanoic Acid |
| IUPAC Name | 4-(2-methylphenoxy)butanoic acid |
| InChI | InChI=1S/C11H14O3/c1-9-5-2-3-6-10(9)14-8-4-7-11(12)13/h2-3,5-6H,4,7-8H2,1H3,(H,12,13) |
| InChI Key | VIRHHSGEXXURMD-UHFFFAOYSA-N |
| MDL Number | MFCD02333374 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | CC1=C(OCCCC(O)=O)C=CC=C1 |
| Synonyms | 4-(2-methylphenoxy)butanoic Acid,
24331-07-5,
4-o-tolyloxy-butyric acid,
AC1LV0BT,
AC1Q2GE7,
SCHEMBL8752667,
CTK4F3402,
4-(2-Methylphenoxy)butyric acid,
DTXSID80364632,
ZINC1871357,
SBB015479,
STK917769,
AKOS000200772,
MCULE-9756126204,
NE19192,
NS-01893,
ST50191149,
EN300-27788,
Z235347059,
4- BUTANOICACID,
CID1622619,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.23g/mol |
| Monoisotopic Mass | 194.094g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number