| CAS Number | 256382-37-3 |
| Catalog Number | AG01AG01 |
| Chemical Name | 2-[3-(Methoxymethyl)phenyl]acetic acid |
| IUPAC Name | 2-[3-(methoxymethyl)phenyl]acetic acid |
| InChI | InChI=1S/C10H12O3/c1-13-7-9-4-2-3-8(5-9)6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12) |
| InChI Key | WVAGPNRMUXCPSH-UHFFFAOYSA-N |
| MDL Number | MFCD20645807 |
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.2005 |
| SMILES | COCC1=CC(CC(O)=O)=CC=C1 |
| Synonyms | 2-[3-(methoxymethyl)phenyl]acetic acid,
256382-37-3,
SCHEMBL4080225,
3-Methoxymethylphenylacetic Acid,
WVAGPNRMUXCPSH-UHFFFAOYSA-N,
ZINC83822790,
AKOS017531458,
NE25667,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.203g/mol |
| Monoisotopic Mass | 180.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number