(3Z)-4-(3-Hydroxy-2-naphthalenyl)-2-oxo-3-butenoic acid
Basic information
- CAS
613-41-2- Standard SMILES
O=C(O)C(=O)/C=C\c1cc2ccccc2cc1O- InChIKey
LVEQUEJWJRJCST-WAYWQWQTSA-N- Molecular formula
- C14H10O4
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.0579088
Names & identifiers
- Preferred name
- (3Z)-4-(3-Hydroxy-2-naphthalenyl)-2-oxo-3-butenoic acid
- IUPAC
- (Z)-4-(3-hydroxynaphthalen-2-yl)-2-oxobut-3-enoic acid
Names & synonyms
613-41-2(3Z)-4-(3-Hydroxy-2-naphthalenyl)-2-oxo-3-butenoic acidRefChem:208400(Z)-4-(3-Hydroxynaphthalen-2-yl)-2-oxobut-3-enoic acid(3Z)-4-(3-HYDROXYNAPHTHALEN-2-YL)-2-OXOBUT-3-ENOIC ACIDSCHEMBL12486807DTXSID101204086cis-4-{2'-hydroxynaphth-3-yl)-2-oxobutenoic acid
Database identifiers
- CAS
613-41-2- PubChem CID
- 9543377
- DTXSID
DTXSID101204086
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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