Basic information
- CAS
13154-40-0- Standard SMILES
COC(=O)CCCCC[N+](=O)[O-]- InChIKey
ZCGHLLAHRBMQLF-UHFFFAOYSA-N- Molecular formula
- C7H13NO4
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.0844579
Names & identifiers
- Preferred name
- 6-Nitrohexanoic acid methyl ester
- IUPAC
- methyl 6-nitrohexanoate
- English name
- Hexanoic acid, 6-nitro-, methyl ester
- Molecular formula
- C7H13NO4
- Molecular weight
- 175.18242
Names & synonyms
13154-40-06-nitrohexanoic acid methyl esterDTXSID10454595RefChem:309197DTXCID40405414Methyl 6-nitrohexanoateHexanoic acid, 6-nitro-, methyl esterMFCD32642354SCHEMBL3503182ZCGHLLAHRBMQLF-UHFFFAOYSA-NAS-91768SY266582
Show more names
6?nitrohexanoic acid methyl ester
F86591F980052
Database identifiers
- CAS
13154-40-0- PubChem CID
- 11084387
- DTXSID
DTXSID10454595- Nikkaji
- J461.100D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- storage temp.
- 2 · 2-8°C, sealed storage, away from moisture
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Related reactions
2 records
Compound notes
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