Basic information
- CAS
7499-20-9- Standard SMILES
CCCCC#CCC(C(=O)O)C(=O)O- InChIKey
AZDWCIKOWAZNJA-UHFFFAOYSA-N- Molecular formula
- C10H14O4
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.08920892
Names & identifiers
- Preferred name
- 2-(2-Heptynyl)malonic acid
- IUPAC
- 2-hept-2-ynylpropanedioic acid
Names & synonyms
2-(2-Heptynyl)malonic acid7499-20-9GL1A2M5BT9UNII-GL1A2M5BT9NSC 407545NSC-407545DTXSID90225947MALONIC ACID, (2-HEPTYNYL)-PROPANEDIOIC ACID, 2-HEPTYNYL-2-(2-HEPTYN-1-YL)PROPANEDIOIC ACIDPROPANEDIOIC ACID, 2-(2-HEPTYN-1-YL)-RefChem:84063
Show more names
DTXCID20148438NSC4075452-hept-2-ynylpropanedioic acid(Hept-2-yn-1-yl)propanedioic acid
Database identifiers
- CAS
7499-20-9- PubChem CID
- 348286
- DTXSID
DTXSID90225947- UNII
- GL1A2M5BT9
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…