Basic information
- Standard SMILES
COC(=O)CC(C)C[N+](=O)[O-]- InChIKey
DZQJCNUWYDGVCF-UHFFFAOYSA-N- Molecular formula
- C6H11NO4
- Average molar mass
- 161.16 g/mol
Names & identifiers
- Preferred name
- Methyl 3-methyl-4-nitrobutanoate
- IUPAC
- methyl 3-methyl-4-nitrobutanoate
Names & synonyms
methyl 3-methyl-4-nitrobutanoate16507-06-5Butanoic acid, 3-methyl-4-nitro-, methyl esterMFCD22056438SCHEMBL1262587DZQJCNUWYDGVCF-UHFFFAOYSA-Nmethyl 3-methyl-4-nitro-butanoateRAA50706AKOS037644169AS-48023DA-09539SY181726
Show more names
3-methyl-4-nitro-butyric acid methyl esterButanoicacid,3-methyl-4-nitro-,methylester3-Methyl-4-nitro-butanoic acid methyl esterCS-0216789EN300-60382F17556
Database identifiers
- PubChem CID
- 13633418
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Related reactions
12 records
Compound notes
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