Basic information
- CAS
403507-41-5- Standard SMILES
C#CCOc1ccc(OCC)c(C=O)c1- InChIKey
WHMCPWWKZKKUPM-UHFFFAOYSA-N- Molecular formula
- C12H12O3
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.07864424
Names & identifiers
- Preferred name
- 2-Ethoxy-5-(prop-2-yn-1-yloxy)benzaldehyde
- IUPAC
- 2-ethoxy-5-prop-2-ynoxybenzaldehyde
- English name
- Benzaldehyde, 2-ethoxy-5-(2-propynyloxy)- (9CI)
- Molecular formula
- C12H12O3
- Molecular weight
- 204.22188
Names & synonyms
403507-41-52-ethoxy-5-(prop-2-yn-1-yloxy)benzaldehydeBenzaldehyde, 2-ethoxy-5-(2-propynyloxy)- (9CI)WHMCPWWKZKKUPM-UHFFFAOYSA-DTXSID50395812DB-284807Benzaldehyde, 2-ethoxy-5-(2-propynyloxy)-2-Ethoxy-5-[(prop-2-yn-1-yl)oxy]benzaldehydeInChI=1/C12H12O3/c1-3-7-15-11-5-6-12(14-4-2)10(8-11)9-13/h1,5-6,8-9H,4,7H2,2H32-ethoxy-5-prop-2-ynoxybenzaldehyde
Database identifiers
- CAS
403507-41-5- PubChem CID
- 3742829
- DTXSID
DTXSID50395812
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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