| CAS Number | 77305-02-3 |
| Catalog Number | AG003UAZ(AGN-PC-0UBBJY) |
| Chemical Name | 4-Hydroxy-3-methoxyphenyl-lactic acid sodium salt |
| IUPAC Name | sodium;2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate |
| InChI | InChI=1S/C10H12O5.Na/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14;/h2-3,5,8,11-12H,4H2,1H3,(H,13,14);/q;+1/p-1 |
| InChI Key | VYPSMFXPMZZSSK-UHFFFAOYSA-M |
| MDL Number | MFCD00056719 |
| Molecular Formula | C10H11NaO5 |
| Molecular Weight | 234.1811 |
| SMILES | OC(CC1=CC=C(O)C(OC)=C1)C([O-])=O.[Na+] |
| Synonyms | 77305-02-3,
Sodium 3-(4-Hydroxy-3-methoxyphenyl)lactate,
4-Hydroxy-3-methoxyphenyl-lactic acid sodium salt,
sodium 2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate,
AN-308/25123009,
ACMC-209p92,
CTK8B2304,
DTXSID00659916,
ANW-36996,
MFCD00056719,
AKOS015902824,
AKOS027381078,
TC-125741,
FT-0757391,
C-44203,
3-(4-Hydroxy-3-methoxyphenyl)lactic Acid Sodium Salt,
I14-19703,
Sodium 2-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionate,
2-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionic Acid Sodium Salt,
H0538,
4-HYDROXY-3-METHOXYPHENYL-LACTICACIDSODIUMSALT,
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| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.183g/mol |
| Monoisotopic Mass | 234.05g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 89.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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