Completing data — usually done within a minute
Basic information
- CAS
872785-39-2- Standard SMILES
O=C(O)C1(Cc2ccccc2)CCc2ccccc21- InChIKey
DVUFWAJSVZUQTP-UHFFFAOYSA-N- Molecular formula
- C17H16O2
- Average molar mass
- 252.31 g/mol
Names & identifiers
- Preferred name
- 1-benzyl-2,3-dihydro-1H-indene-1-carboxylic acid
- IUPAC
- 1-benzyl-2,3-dihydroindene-1-carboxylic acid
Names & synonyms
1-benzyl-2,3-dihydro-1H-indene-1-carboxylic acid872785-39-21-benzyl-2,3-dihydroindene-1-carboxylic acidstarbld0013493SCHEMBL1153942SCHEMBL116028971-benzylindane-1-carboxylic acidDVUFWAJSVZUQTP-UHFFFAOYSA-NXJB78539AKOS014742870DA-01837EN300-1425667
Show more names
1-Benzyl-2,3-dihydro-1-indene-1-carboxylic acid
Database identifiers
- CAS
872785-39-2- PubChem CID
- 65407003
- EC Number
- 830-303-0
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 332
Safety & regulation
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
3 records
Compound notes
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