Basic information
- CAS
1194-36-1- Standard SMILES
CC1([N+](=O)[O-])COCOC1- InChIKey
AENNTASTLOXXMY-UHFFFAOYSA-N- Molecular formula
- C5H9NO4
- Average molar mass
- 147.13 g/mol
- Monoisotopic mass
- 147.05315777
Names & identifiers
- Preferred name
- 5-Methyl-5-nitro-1,3-dioxane
- IUPAC
- 5-methyl-5-nitro-1,3-dioxane
- English name
- 5-METHYL-5-NITRO-1,3-DIOXANE
- Molecular formula
- C5H9NO4
- Molecular weight
- 0
Names & synonyms
5-Methyl-5-nitro-1,3-dioxanem-DIOXANE, 5-METHYL-5-NITRO-NSC 50313BRN 0123791U2GJ795Y2GAI3-32401NSC-50313DTXSID301524455-19-01-00056 (Beilstein Handbook Reference)RefChem:198954DTXCID40749361194-36-1
Show more names
1,3-Dioxane, 5-methyl-5-nitro-5-Nitro-5-methyl-1,3-dioxaneNSC503131, 5-methyl-5-nitro-UNII-U2GJ795Y2G5-methyl-5-nitro-m-dioxaneSCHEMBL4787731WLN: T6O COTJ ENW E1
Database identifiers
- CAS
1194-36-1- PubChem CID
- 14518
- DTXSID
DTXSID30152445- UNII
- U2GJ795Y2G
- Nikkaji
- J40.589B
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- FDA UNII
- 2 GJ795Y2G · U2GJ795Y2G
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
2 records
Compound notes
Loading…