Basic information
- CAS
405102-94-5- Standard SMILES
O=C(O)C1CCCc2c(O)cccc21- InChIKey
YUSUVRFZZWXNTO-UHFFFAOYSA-N- Molecular formula
- C11H12O3
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.07864424
Names & identifiers
- Preferred name
- 5-Hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
- IUPAC
- 5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
Names & synonyms
405102-94-55-Hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acidDTXSID00597147RefChem:303339DTXCID205479071-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-5-hydroxy-MFCD20658262SCHEMBL17595425-hydroxytetralin-1-carboxylic acidFRA10294AKOS022171559DB-296106
Show more names
CS-0452182EN300-175434G55997F773641Z12625557625-Hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylicacid
Database identifiers
- CAS
405102-94-5- PubChem CID
- 18987135
- DTXSID
DTXSID00597147- EC Number
- 977-982-0
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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