2-[(6-Hydroxy-2-naphthalenyl)oxy]acetic acid
Basic information
- CAS
10441-36-8- Standard SMILES
O=C(O)COc1ccc2cc(O)ccc2c1- InChIKey
VTKLOBJSPNLFHC-UHFFFAOYSA-N- Molecular formula
- C12H10O4
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.0579088
Names & identifiers
- Preferred name
- 2-[(6-Hydroxy-2-naphthalenyl)oxy]acetic acid
- IUPAC
- 2-(6-hydroxynaphthalen-2-yl)oxyacetic acid
- English name
- 2-[(6-Hydroxy-2-naphthalenyl)oxy]acetic Acid
- Molecular formula
- C12H10O4
- Molecular weight
- 218.21
Names & synonyms
10441-36-82-[(6-HYDROXY-2-NAPHTHALENYL)OXY]ACETIC ACIDACETIC ACID, (6-HYDROXY-2-NAPHTHALENYL)OXY-2-(6-hydroxynaphthalen-2-yl)oxyacetic acid2-((6-Hydroxynaphthalen-2-yl)oxy)acetic acid2-[(6-hydroxynaphthalen-2-yl)oxy]acetic acid[(6-Hydroxy-2-naphthalenyl)oxy]acetic AcidSCHEMBL9714119DTXSID90146466DB-292412[(6-HYDROXYNAPHTHALEN-2-YL)OXY]ACETIC ACIDAcetic acid, 2-[(6-hydroxy-2-naphthalenyl)oxy]-
Database identifiers
- CAS
10441-36-8- PubChem CID
- 25283
- DTXSID
DTXSID90146466- Nikkaji
- J1.556.162I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 458.4 · 458.4±20.0 °C(Predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
- pka
- 3.23 · 3.23±0.30(Predicted)
Chemistry & industry
Applications
Uses2-[(6-Hydroxy-2-naphthalenyl)oxy]acetic Acid is a reagent used in the preparation of antitumor agents against sarcoma.
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Compound notes
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