Basic information
- CAS
31748-08-0- Standard SMILES
CCCCB1OC(=O)c2c(ccc3ccccc23)O1- InChIKey
QMJCDWTYFITQCC-UHFFFAOYSA-N- Molecular formula
- C15H15BO3
- Average molar mass
- 254.09 g/mol
- Monoisotopic mass
- 254.1114245
Names & identifiers
- Preferred name
- 2-Hydroxy-1-naphthoic acid cyclic butaneboronate
- IUPAC
- 3-butylbenzo[f][1,3,2]benzodioxaborinin-1-one
- English name
- 3-Butyl-1H-naphtho[2,1-d][1,3,2]dioxaborin-1-one
- Molecular formula
- C15H15BO3
- Molecular weight
- 254.09
Names & synonyms
2-Hydroxy-1-naphthoic acid cyclic butaneboronateQMJCDWTYFITQCC-UHFFFAOYSA-N1-Naphthoic acid, 2-hydroxy-, monoanhydride with 1-butaneboronic acid, cyclic ester3-Butyl-1H-naphtho[2,1-d][1,3,2]dioxaborinin-1-one #3-butylbenzo[f][1,3,2]benzodioxaborinin-1-one3-Butyl-1H-naphtho[2,1-d][1,3,2]dioxaborin-1-one1H-Naphtho[2,1-d][1,3,2]dioxaborin-1-one, 3-butyl-
Database identifiers
- CAS
31748-08-0- PubChem CID
- 598554
- Nikkaji
- J103.584C
Properties
Computed structural properties
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Boiling point
- 383.3 · 383.3±25.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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