Basic information
- CAS
29813-38-5- Standard SMILES
CCCCCCCCC(=O)[O-].CCCCCCCCC(=O)[O-].[Ca+2]- InChIKey
QSSGIYRIEKPVTG-UHFFFAOYSA-L- Molecular formula
- C18H34CaO4
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.2083004
Names & identifiers
- Preferred name
- Calcium nonanoate
- IUPAC
- calcium bis(nonanoate)
- English name
- calcium nonan-1-oate
- Molecular formula
- C9H20CaO2
- Molecular weight
- 200.34
Names & synonyms
Calcium nonanoateCalcium nonan-1-oate29813-38-5Calcium pelargonateNonanoic acid, calcium saltCalcium dinonanoateEINECS 249-873-1Nonanoic acid, calcium salt (2:1)Isononanoic acid, calcium saltSCHEMBL8150826DTXSID4067515QSSGIYRIEKPVTG-UHFFFAOYSA-L
Show more names
CALCIUMPELARGONATENonanoic acid,calcium saltPelargonic acid calcium saltDinonanoic acid calcium salt
EINECS 258-901-1Isononanoic acid, calcium salt (2:1)NS00084599EC 258-901-1
Database identifiers
- CAS
29813-38-5、53988-05-9- PubChem CID
- 62075
- DTXSID
DTXSID4067515- EC Number
- 249-873-1
- Nikkaji
- J98.113C
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 94.2
Physicochemical properties
- EPA Substance Registry System
- Calcium nonanoate (29813-38-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNonanoic acid, calcium salt (2:1): ACTIVE
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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