| CAS Number | 20940-75-4 |
| Catalog Number | AG019EZQ(AGN-PC-0JW5GV) |
| Chemical Name | 2-(3-methoxybenzyl)succinic acid |
| IUPAC Name | 2-[(3-methoxyphenyl)methyl]butanedioic acid |
| InChI | InChI=1S/C12H14O5/c1-17-10-4-2-3-8(6-10)5-9(12(15)16)7-11(13)14/h2-4,6,9H,5,7H2,1H3,(H,13,14)(H,15,16) |
| InChI Key | FMZYGPLENOEZAC-UHFFFAOYSA-N |
| MDL Number | MFCD00582472 |
| Molecular Formula | C12H14O5 |
| Molecular Weight | 238.2366 |
| SMILES | COC=1C=C(CC(C(=O)O)CC(=O)O)C=CC1 |
| Synonyms | 2-(3-methoxybenzyl)succinic acid,
20940-75-4,
2-(3-methoxybenzyl)butanedioic acid,
AC1MDIZO,
2-[(3-methoxyphenyl)methyl]butanedioic Acid,
CBKinase1_000211,
CBKinase1_012611,
Oprea1_072941,
CHEMBL1373885,
BBL028787,
MFCD00582472,
STK722172,
AKOS001600579,
MCULE-6711297644,
CS-0036863,
MLS-0291940.0001,
SR-01000400754,
SR-01000400754-1,
BRD-A03277579-001-01-7,
CID2837674,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.239g/mol |
| Monoisotopic Mass | 238.084g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 83.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number