Nonylboronic acid
Basic information
- CAS
3088-78-6- Standard SMILES
CCCCCCCCCB(O)O- InChIKey
RHPOAOZKVCLNPE-UHFFFAOYSA-N- Molecular formula
- C9H21BO2
- Average molar mass
- 172.08 g/mol
- Monoisotopic mass
- 172.1634601
Names & identifiers
- Preferred name
- Nonylboronic acid
- IUPAC
- nonylboronic acid
- English name
- 1-Nonaneboronic acid
- Molecular formula
- C9H21BO2
- Molecular weight
- 172.07
Names & synonyms
NONYLBORONIC ACID3088-78-6DTXSID20184891RefChem:1092564DTXCID601073821-Nonaneboronic acidBoronic acid, nonyl-Boronic acid, B-nonyl-BRN 1741032WLN: QBQ9SCHEMBL6917203RHPOAOZKVCLNPE-UHFFFAOYSA-
Show more names
Nonyl boric acidn-Nonylboric acidN-Nonylboronic acidNonylboron dihydoxidedihydroxy-nonyl-borane
NSC53325NSC 53325NSC-53325AKOS013013909InChI=1/C9H21BO2/c1-2-3-4-5-6-7-8-9-10(11)12/h11-12H,2-9H2,1H3
Database identifiers
- CAS
3088-78-6- PubChem CID
- 18339
- DTXSID
DTXSID20184891- Nikkaji
- J59.358C
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 86.6
Physicochemical properties
- Boiling point
- 280.1 · 280.1±23.0 °C(Predicted)
- Density
- 0.886 · 0.886±0.06 g/cm3(Predicted)
- pka
- 10.36 · 10.36±0.43(Predicted)
- EWG's Food Scores
- 1 · 1
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Related reactions
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Compound notes
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