| CAS Number | 938154-61-1 |
| Catalog Number | AG01AGLM |
| Chemical Name | 2-Phenyl-2-[3-(propan-2-yl)phenoxy]acetic acid |
| IUPAC Name | 2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid |
| InChI | InChI=1S/C17H18O3/c1-12(2)14-9-6-10-15(11-14)20-16(17(18)19)13-7-4-3-5-8-13/h3-12,16H,1-2H3,(H,18,19) |
| InChI Key | UCKNOALUUJJXLS-UHFFFAOYSA-N |
| MDL Number | MFCD09707710 |
| Molecular Formula | C17H18O3 |
| Molecular Weight | 270.3230 |
| SMILES | CC(C1=CC(OC(C2=CC=CC=C2)C(O)=O)=CC=C1)C |
| Synonyms | 2-phenyl-2-[3-(propan-2-yl)phenoxy]acetic acid,
938154-61-1,
AC1Q1OI6,
AKOS000198806,
AKOS016902905,
MCULE-5434270680,
NE27666,
EN300-72207,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.328g/mol |
| Monoisotopic Mass | 270.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number