Propanedioic acid, 2-octadecyl-
Basic information
- CAS
4475-04-1- Standard SMILES
CCCCCCCCCCCCCCCCCCC(C(=O)O)C(=O)O- InChIKey
WMUFHDYXFASDAE-UHFFFAOYSA-N- Molecular formula
- C21H40O4
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.29265975
Names & identifiers
- Preferred name
- Propanedioic acid, 2-octadecyl-
- IUPAC
- 2-octadecylpropanedioic acid
Names & synonyms
Stearylmalonic acidMalonic acid, octadecyl-1,1-Nonadecanedicarboxylic acidPropanedioic acid, 2-octadecyl-EINECS 224-750-5NSC 74101RefChem:868959Octadecylmalonic acidPropanedioic acid, octadecyl-4475-04-1NSC741012-octadecylpropanedioic acid
Show more names
octadecylpropanedioic acidoctadecylmalonsaure2-Octadecylmalonic acidNCIOpen2_008860SCHEMBL142388DTXSID10634891, 1-Nonadecanedicarboxylic acidWMUFHDYXFASDAE-UHFFFAOYSA-N
Database identifiers
- CAS
4475-04-1- PubChem CID
- 78228
- DTXSID
DTXSID1063489- EC Number
- 224-750-5
- Nikkaji
- J205.857J
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 314
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanedioic acid, 2-octadecyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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