1,4-Naphthalenedione, 2-ethyl-3-hydroxy-
Basic information
- CAS
29366-44-7- Standard SMILES
CCC1=C(O)c2ccccc2C(=O)C1=O- InChIKey
VVAZSPXIJHYPKY-UHFFFAOYSA-N- Molecular formula
- C12H10O3
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.06299418
Names & identifiers
- Preferred name
- 1,4-Naphthalenedione, 2-ethyl-3-hydroxy-
- IUPAC
- 3-ethyl-4-hydroxynaphthalene-1,2-dione
- English name
- 1,4-Naphthalenedione, 2-ethyl-3-hydroxy- (9CI)
- Molecular formula
- C12H10O3
- Molecular weight
- 202.206
Names & synonyms
29366-44-71,4-Naphthalenedione, 2-ethyl-3-hydroxy-3-ethyl-4-hydroxynaphthalene-1,2-dione2-ETHYL-3-HYDROXYNAPHTHALENE-1,4-DIONENSC1080221,4-Naphthoquinone, 2-ethyl-3-hydroxy-1, 2-ethyl-3-hydroxy-Cambridge id 5249318Oprea1_408438SCHEMBL87810442-Ethyl-3-hydroxynaphthoquinoneCHEMBL3092105
Show more names
2-Ethyl-3-hydroxy-1,4-naphthoquinone1,4-Naphthalenedione, 2-ethyl-3-hydroxy- (9CI)
DTXSID20951909VVAZSPXIJHYPKY-UHFFFAOYSA-N2-Ethyl-3-hydroxynaphthoquinone #2-hydroxy-3-ethyl-1,4-naphthoquinoneNSC 108022NSC-108022DB-279142SR-01000200918
Database identifiers
- CAS
29366-44-7- PubChem CID
- 94401
- DTXSID
DTXSID20951909- ChEMBL
CHEMBL3092105- Nikkaji
- J99.679C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 341
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Related reactions
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Compound notes
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