1H-Indene-2-carboxylic acid
Basic information
- CAS
41712-14-5- Standard SMILES
O=C(O)C1=Cc2ccccc2C1- InChIKey
BINGGEWUXWUXMJ-UHFFFAOYSA-N- Molecular formula
- C10H8O2
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.05242949
Names & identifiers
- Preferred name
- 1H-Indene-2-carboxylic acid
- IUPAC
- 1H-indene-2-carboxylic acid
- English name
- 1H-Indene-2-carboxylic acid
- Molecular formula
- C10H8O2
- Molecular weight
- 160.17
Names & synonyms
1H-Indene-2-carboxylic acid41712-14-5DTXSID40341747RefChem:438617DTXCID00292827801-791-2MFCD00039586Indene-2-carboxylic acid1H-Indene-2-carboxylicAcid2-indenecarboxylic acidSCHEMBL1067727SCHEMBL3605152
Show more names
SCHEMBL29906826RBA71214AC1335AKOS015840961CS-11557DA-29352SY024866CS-0211365
Database identifiers
- CAS
41712-14-5- PubChem CID
- 575464
- DTXSID
DTXSID40341747- EC Number
- 801-791-2
- Nikkaji
- J586.793B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 236 °C · 236 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 300.2 · 300.2±21.0 °C(Predicted)
- Density
- 1.312 · 1.312±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerated.
- pka
- 4.68 · 4.68±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2916399090 · 2916399090
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.
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Suppliers
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Related reactions
1 records
Compound notes
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