Basic information
- CAS
101756-25-6- Standard SMILES
CCC(OC(=O)CC(=O)O)c1ccc(C)cc1- InChIKey
DXFANIGIQOZRMR-UHFFFAOYSA-N- Molecular formula
- C13H16O4
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.10485899
Names & identifiers
- Preferred name
- Malonic acid, mono(alpha-ethyl-p-methylbenzyl) ester
- IUPAC
- 3-[1-(4-methylphenyl)propoxy]-3-oxopropanoic acid
- English name
- 3-[1-(4-methylphenyl)propoxy]-3-oxo-propanoic acid
- Molecular formula
- C13H16O4
- Molecular weight
- 0
Names & synonyms
101756-25-6AF 450alpha-Ethyl-p-methylbenzyl ester of malonic acidMALONIC ACID, MONO(alpha-ETHYL-p-METHYLBENZYL) ESTERRefChem:3518473-[1-(4-methylphenyl)propoxy]-3-oxopropanoic acidSCHEMBL29500206DTXSID209065903-[1-(4-METHYLPHENYL)PROPOXY]-3-OXO-PROPANOIC ACID
Database identifiers
- CAS
101756-25-6- PubChem CID
- 58843
- DTXSID
DTXSID20906590- Nikkaji
- J147.612B
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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