| CAS Number | 2985-34-4 |
| Catalog Number | AG01BEQK(AGN-PC-0235OX) |
| Chemical Name | 2-(ethyl carboxy)butanoic acid |
| IUPAC Name | 2-ethoxycarbonylbutanoic acid |
| InChI | InChI=1S/C7H12O4/c1-3-5(6(8)9)7(10)11-4-2/h5H,3-4H2,1-2H3,(H,8,9) |
| InChI Key | VNDPUMWYEFWECV-UHFFFAOYSA-N |
| MDL Number | MFCD19301131 |
| Molecular Formula | C7H12O4 |
| Molecular Weight | 160.1678 |
| SMILES | CCOC(C(C(O)=O)CC)=O |
| Synonyms | 2-(ethoxycarbonyl)butanoic acid,
2985-34-4,
2-(ethyl carboxy)butanoic acid,
Propanedioic acid, 2-ethyl-, 1-ethyl ester,
2-carboethoxybutyric acid,
SCHEMBL663775,
ethylmalonic acid monoethyl ester,
ethyl malonic acid monoethyl ester,
VNDPUMWYEFWECV-UHFFFAOYSA-N,
2-Ethylmalonic acid 1-ethyl ester,
2-Ethyl-malonic acid monoethyl ester,
AKOS022504882,
Z2327226274,
2-ethoxycarbonylbutanoate,
2-ethoxycarbonylbutanoic Acid,
CID10898979,
Propanedioic acid, ethyl-, monoethyl ester,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.169g/mol |
| Monoisotopic Mass | 160.074g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number