Heptanoic acid, 7-iodo-
Basic information
- CAS
88019-89-0- Standard SMILES
O=C(O)CCCCCCI- InChIKey
ZJMQLPOJWFYMME-UHFFFAOYSA-N- Molecular formula
- C7H13IO2
- Average molar mass
- 256.08 g/mol
- Monoisotopic mass
- 255.99603
Names & identifiers
- Preferred name
- Heptanoic acid, 7-iodo-
- IUPAC
- 7-iodoheptanoic acid
Names & synonyms
7-Iodoheptanoic acidHeptanoic acid, 7-iodo-88019-89-0BRN 1752113DTXSID702367584-02-00-00969 (Beilstein Handbook Reference)RefChem:347271DTXCID00159249SCHEMBL1910454SCHEMBL17333231
Database identifiers
- CAS
88019-89-0- PubChem CID
- 174666
- DTXSID
DTXSID70236758- Nikkaji
- J960.381F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 93.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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