Basic information
- CAS
97405-37-3- Standard SMILES
CCCCC(OC(=O)/C=C\C(=O)O)c1ccccc1- InChIKey
SROBQEVKVSDXFQ-KHPPLWFESA-N- Molecular formula
- C15H18O4
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.12050905
Names & identifiers
- Preferred name
- Fumaric acid, alpha-butylbenzyl ester
- IUPAC
- (Z)-4-oxo-4-(1-phenylpentoxy)but-2-enoic acid
Names & synonyms
FUMARIC ACID, alpha-BUTYLBENZYL ESTER97405-37-3RefChem:1085579alpha-Butylbenzyl ester of fumaric acidAF 480BRN 2536123SCHEMBL4346781
Database identifiers
- CAS
97405-37-3- PubChem CID
- 6435565
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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