| CAS Number | 119828-60-3 |
| Catalog Number | AG000PPU(AGN-PC-04PFOV) |
| Chemical Name | 4-((2-Methoxyethoxy)methyl)benzoic acid |
| IUPAC Name | 4-(2-methoxyethoxymethyl)benzoic acid |
| InChI | InChI=1S/C11H14O4/c1-14-6-7-15-8-9-2-4-10(5-3-9)11(12)13/h2-5H,6-8H2,1H3,(H,12,13) |
| InChI Key | UMFSVBVRJBMMBM-UHFFFAOYSA-N |
| MDL Number | MFCD09932129 |
| Molecular Formula | C11H14O4 |
| Molecular Weight | 210.2265 |
| SMILES | COCCOCC1=CC=C(C(O)=O)C=C1 |
| Synonyms | 119828-60-3,
4-((2-METHOXYETHOXY)METHYL)BENZOIC ACID,
Benzoicacid, 4-[(2-methoxyethoxy)methyl]-,
4-[(2-METHOXYETHOXY)METHYL]BENZOIC ACID,
ACMC-20moku,
CTK0G9346,
DTXSID30640771,
ZINC19434146,
4-(2-Methoxyethoxymethyl)benzoic acid,
AKOS000175552,
AJ-73498,
4-[(2-Methoxyethoxy)methyl]-benzoic acid,
DB-014332,
Benzoic acid, 4-[(2-methoxyethoxy)methyl]-,
FT-0717013,
A1-05392,
I04-1407,
Z2182115489,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.229g/mol |
| Monoisotopic Mass | 210.089g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number