Basic information
- CAS
51430-71-8- Standard SMILES
O=[N+]([O-])C1(CO)COC(c2ccccc2)OC1- InChIKey
GSYGDSOGHWKWBS-UHFFFAOYSA-N- Molecular formula
- C11H13NO5
- Average molar mass
- 239.22 g/mol
- Monoisotopic mass
- 239.07937252
Names & identifiers
- Preferred name
- (5-Nitro-2-phenyl-1,3-dioxan-5-yl)methanol
- IUPAC
- (5-nitro-2-phenyl-1,3-dioxan-5-yl)methanol
- English name
- NSC68481
- Molecular formula
- C11H13NO5
- Molecular weight
- 239.22
Names & synonyms
(5-nitro-2-phenyl-1,3-dioxan-5-yl)methanol51430-71-81,3-dioxane-5-methanol, 5-nitro-2-phenyl-99430-44-1MFCD01580841[(2r,5s)-5-nitro-2-phenyl-1,3-dioxan-5-yl]methanol[(2r,5s)-5-nitro-2-phenyl-1,3-dioxan-5-yl]methanol, cis(5-nitro-2-phenyl-1,3-dioxan-5-yl)methan-1-olNSC68481DTXSID00290409ALBB-023983NSC-68481
Show more names
SBB000779STK149454AKOS003246938LS-07679ST012465CS-0323004H34277(5-nitro-2-phenyl-[1,3]dioxan-5-yl)-methanol
Database identifiers
- CAS
51430-71-8- PubChem CID
- 249786
- DTXSID
DTXSID00290409- Nikkaji
- J1.690.012E
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Melting point
- 124.8 °C · 124.8 °C
- Boiling point
- 417.8 · 417.8±45.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 14.58 · 14.58±0.10(Predicted)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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