3-(1,2,3,4-Tetrahydronaphthalen-2-yl)propanoic acid
Basic information
- CAS
98017-39-1- Standard SMILES
O=C(O)CCC1CCc2ccccc2C1- InChIKey
UXSTWPJLEBGWSJ-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- 3-(1,2,3,4-Tetrahydronaphthalen-2-yl)propanoic acid
- IUPAC
- 3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid
- English name
- 3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid
- Molecular formula
- C13H16O2
- Molecular weight
- 204.26494
Names & synonyms
3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanoic Acid98017-39-1RefChem:489200621-557-11,2,3,4-TETRAHYDRO-2-NAPHTHALENEPROPIONIC ACID3-tetralin-2-ylpropanoic acidMFCD00156950AKOS024324899SY393274CS-0234686ST50446711EN300-1457276
Show more names
3-(1,2,3,4-Tetrahydro-2-naphthyl)propanoic Acid
Database identifiers
- CAS
98017-39-1- PubChem CID
- 4339877
- EC Number
- 621-557-1
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
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
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.5%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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