Basic information
- CAS
909190-72-3- Standard SMILES
C=CCCC1=C(C(=O)OC)Cc2ccccc2O1- InChIKey
ZQAZZDVPPLJNIR-UHFFFAOYSA-N- Molecular formula
- C15H16O3
- Average molar mass
- 244.28 g/mol
- Monoisotopic mass
- 244.10994437
Names & identifiers
- Preferred name
- Methyl 2-(3-buten-1-yl)-4H-1-benzopyran-3-carboxylate
- IUPAC
- methyl 2-but-3-enyl-4H-chromene-3-carboxylate
Names & synonyms
909190-72-3Methyl 2-(3-buten-1-yl)-4H-1-benzopyran-3-carboxylateRefChem:353829DTXSID001215056Methyl 2-(but-3-en-1-yl)-4H-1-benzopyran-3-carboxylate
Database identifiers
- CAS
909190-72-3- PubChem CID
- 16079367
- DTXSID
DTXSID001215056- Nikkaji
- J2.361.255K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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