Basic information
- CAS
115420-26-3- Standard SMILES
C=CCCCC(C(=O)O)c1ccccc1- InChIKey
CGCWGHILDIXRMP-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- 2-Phenylhept-6-enoic acid
- IUPAC
- 2-phenylhept-6-enoic acid
Names & synonyms
2-phenylhept-6-enoic acid115420-26-3RefChem:478182958-110-82-phenylhept-6-enoicacidAKOS017979101CS-0247778EN300-373633
Database identifiers
- CAS
115420-26-3- PubChem CID
- 14115995
- EC Number
- 958-110-8
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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