3-(Prop-1-en-2-yl)heptanedioic acid
Basic information
- CAS
7632-39-5- Standard SMILES
C=C(C)C(CCCC(=O)O)CC(=O)O- InChIKey
OOJAVYUZAPJSNQ-UHFFFAOYSA-N- Molecular formula
- C10H16O4
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.10485899
Names & identifiers
- Preferred name
- 3-(Prop-1-en-2-yl)heptanedioic acid
- IUPAC
- 3-prop-1-en-2-ylheptanedioic acid
Names & synonyms
7632-39-5DTXSID806143663-(Prop-1-en-2-yl)heptanedioic acidRefChem:275880DTXCID205651213-i-propenylpimelic acidSCHEMBL8844774
Database identifiers
- CAS
7632-39-5- PubChem CID
- 21473044
- DTXSID
DTXSID80614366
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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