monoMethyl succinate
PubChem CID: 77487
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| Compound Synonyms | 4-Methoxy-4-oxobutanoic acid, 3878-55-5, Monomethyl succinate, Mono-Methyl Succinate, Succinic acid monomethyl ester, Methyl hydrogen succinate, mono-Methyl hydrogen succinate, Succinic acid, monomethyl ester, Butanedioic acid, monomethyl ester, 3-Carbomethoxypropanoic acid, MFCD00002788, YA2V724S0A, butanedioic acid 1-methyl ester, DTXSID7044425, Butanedioic acid, 1-methyl ester, NSC 511, NSC-511, EINECS 223-408-2, succinic acid 4-methyl ester, AI3-03389, butanedioic acid monomethyl ester, DTXCID5024425, CHEBI:75146, DL-methylsuccinate, 3H-methylsuccinate, UNII-YA2V724S0A, 3-(methoxycarbonyl)propanoic acid, 4Methoxy4oxobutanoic acid, 3Carbomethoxypropanoic acid, Monomethyl hydrogen succinate, SCHEMBL164072, 3-methoxycarbonylpropionic acid, NSC511, Butanedioic acid, 1methyl ester, 4-Methoxy-4-oxobutanoic acid #, BDBM82193, JDRMYOQETPMYQX-UHFFFAOYSA-, 4-(methyloxy)-4-oxobutanoic acid, Butanedioic-13C4Acid1-MethylEster, Tox21_302188, mono-Methyl hydrogen succinate, 95%, STL068961, AKOS000264979, CS-W011096, GS-3418, Succinic acid, monomethyl ester (8CI), NCGC00257549-01, BP-23493, FS163512, SY009523, CAS-3878-55-5, M3262, NS00030461, EN300-24949, Q21045268, Z57663583, F1107-0326, InChI=1/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7), Monomethyl succinate, 3-(Methoxycarbonyl)propanoic acid, Succinic acid monomethyl ester, 223-408-2 |
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| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 118.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methoxy-4-oxobutanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Molecular Formula | C5H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JDRMYOQETPMYQX-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | 0.226 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.869 |
| Compound Name | monoMethyl succinate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 132.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 132.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 132.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.0125634000000001 |
| Inchi | InChI=1S/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7) |
| Smiles | COC(=O)CCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ranunculus Ternatus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Rosa Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients