| CAS Number | 72775-83-8 |
| Catalog Number | AG00FVPQ(AGN-PC-0L91YY) |
| Chemical Name | 2-(3-ethoxyphenyl)acetic acid |
| IUPAC Name | 2-(3-ethoxyphenyl)acetic acid |
| InChI | InChI=1S/C10H12O3/c1-2-13-9-5-3-4-8(6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12) |
| InChI Key | HRFLULLBPLPBSW-UHFFFAOYSA-N |
| MDL Number | MFCD00075781 |
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.2005 |
| SMILES | C(C)OC=1C=C(C=CC1)CC(=O)O |
| Synonyms | 2-(3-ethoxyphenyl)acetic Acid,
(3-Ethoxyphenyl)acetic acid,
72775-83-8,
3-Ethoxyphenylacetic acid,
3-ethoxyphenyl acetic acid,
AC1N8B3Q,
Benzeneacetic acid, 3-ethoxy-,
(3-Ethoxy-phenyl)-acetic acid,
CHEMBL136769,
SCHEMBL2458898,
HRFLULLBPLPBSW-UHFFFAOYSA-N,
ZINC2149648,
MFCD00075781,
AKOS002671955,
MCULE-3687510778,
NE44361,
BB 0249008,
Z1463243614,
CID4315987,
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| 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 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number