Basic information
- CAS
150881-63-3- Standard SMILES
CCOC(=O)C(C(=O)O)C(C)c1ccccc1- InChIKey
LLLQIARWTGHOJV-UHFFFAOYSA-N- Molecular formula
- C13H16O4
- Average molar mass
- 236.26 g/mol
Names & identifiers
- Preferred name
- 2-Ethoxycarbonyl-3-phenylbutanoic acid
- IUPAC
- 2-ethoxycarbonyl-3-phenylbutanoic acid
- English name
- Propanedioic acid, (1-phenylethyl)-, monoethyl ester (9CI)
- Molecular formula
- C13H16O4
- Molecular weight
- 236.26
Names & synonyms
2-ethoxycarbonyl-3-phenylbutanoic acid150881-63-3Propanedioic acid, (1-phenylethyl)-, monoethyl ester (9CI)SCHEMBL7418448LLLQIARWTGHOJV-UHFFFAOYSA-NPropanedioic acid, 2-(1-phenylethyl)-, 1-ethyl ester
Database identifiers
- CAS
150881-63-3
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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