| CAS Number | 900704-18-9 |
| Catalog Number | AG00IG0G(AGN-PC-0WQWTW) |
| Chemical Name | (3-Propoxyphenyl)acetic acid |
| IUPAC Name | 2-(3-propoxyphenyl)acetic acid |
| InChI | InChI=1S/C11H14O3/c1-2-6-14-10-5-3-4-9(7-10)8-11(12)13/h3-5,7H,2,6,8H2,1H3,(H,12,13) |
| InChI Key | BNRVFOGZGZLVQJ-UHFFFAOYSA-N |
| MDL Number | MFCD07754771 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | CCCOC1=CC(CC(O)=O)=CC=C1 |
| Synonyms | 2-(3-propoxyphenyl)acetic Acid,
(3-PROPOXYPHENYL)ACETIC ACID,
900704-18-9,
AC1OG0T8,
SCHEMBL10455393,
ZINC4227517,
AKOS002671956,
MCULE-1493926486,
NE29049,
Z1463350838,
CID7139425,
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| 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 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number