Basic information
- CAS
61414-76-4- Standard SMILES
C=C(OC1C=C(C(=O)O)C2OC2C1O)C(=O)O- InChIKey
IHJFDKMNEAKDBN-UHFFFAOYSA-N- Molecular formula
- C10H10O7
- Average molar mass
- 242.18 g/mol
- Monoisotopic mass
- 242.04265265
Names & identifiers
- Preferred name
- 3-(1-Carboxyethenoxy)-2-hydroxy-7-oxabicyclo[4.1.0]hept-4-ene-5-carboxylic acid
- IUPAC
- 4-(1-carboxyethenoxy)-5-hydroxy-7-oxabicyclo[4.1.0]hept-2-ene-2-carboxylic acid
Names & synonyms
61414-76-43-(1-carboxyethenoxy)-2-hydroxy-7-oxabicyclo[4.1.0]hept-4-ene-5-carboxylic acidNSC340286DTXSID30330963CHORISMIC ACID,6-EPOXIDE DERIVNSC-340286.alpha.-5,6-Epoxide of chorismic acid4-[(1-Carboxyethen-1-yl)oxy]-5-hydroxy-7-oxabicyclo[4.1.0]hept-2-ene-2-carboxylic acid
Database identifiers
- CAS
61414-76-4- PubChem CID
- 433995
- DTXSID
DTXSID30330963
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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