| CAS Number | 392237-83-1 |
| Catalog Number | AG01A1PD(AGN-PC-0WCN6B) |
| Chemical Name | 2-[3-(2-methylpropoxy)phenoxy]acetic acid |
| IUPAC Name | 2-[3-(2-methylpropoxy)phenoxy]acetic acid |
| InChI | InChI=1S/C12H16O4/c1-9(2)7-15-10-4-3-5-11(6-10)16-8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14) |
| InChI Key | YCERKOAASBOHHF-UHFFFAOYSA-N |
| MDL Number | MFCD01409169 |
| Molecular Formula | C12H16O4 |
| Molecular Weight | 224.2530 |
| SMILES | CC(COC1=CC(OCC(O)=O)=CC=C1)C |
| Synonyms | 2-[3-(2-methylpropoxy)phenoxy]acetic acid,
2-(3-isobutoxyphenoxy)acetic acid,
392237-83-1,
IFLab1_001203,
Oprea1_544638,
SCHEMBL15063472,
YCERKOAASBOHHF-UHFFFAOYSA-N,
HMS1415G15,
ZINC4071657,
2-[3-(Isobutoxy)phenoxy]acetic acid,
AKOS024575271,
MCULE-3744885127,
NE42520,
IDI1_009070,
VU0493881-1,
SR-01000005486,
SR-01000005486-1,
Z57074754,
F0314-0095,
AC1N3NNO,
CID4067614,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.104859g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.25g/mol |
| Monoisotopic Mass | 224.104859g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number