Basic information
- CAS
82462-44-0- Standard SMILES
[3H]c1ccc2c(CC(=O)O)c[nH]c2c1- InChIKey
SEOVTRFCIGRIMH-FUPOQFPWSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 177.19 g/mol
- Monoisotopic mass
- 177.07155278
Names & identifiers
- Preferred name
- 3-[5(n)-3H]Indolylacetic acid
- IUPAC
- 2-(6-tritio-1H-indol-3-yl)acetic acid
- English name
- INDOLE-3-ACETIC ACID, [5-3H]
- Molecular formula
- C10H8NO2T
- Molecular weight
- 177.19
Names & synonyms
82462-44-03-[5(n)-3H]Indolylacetic acidDTXSID303496311H-indole-3[5(n)-3H]-acetic acid1H-Indole-5-t-3-acetic acid (9CI)[(6-~3~H)-1H-Indol-3-yl]acetic acidINDOLE-3-ACETIC ACID, [5-3H]
Database identifiers
- CAS
82462-44-0- PubChem CID
- 656405
- DTXSID
DTXSID30349631
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 415.03 · 415.030±20.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.355 · 1.355±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.486 · 4.486±0.30(predicted)
- Concentration
- 1 mCi/ml · 1 mCi/ml
- Solvent
- Ethanol
- Specific Activity
- 15 · 15-30 Ci/mmol
Chemistry & industry
Suppliers1 total
中国同辐股份有限公司15210618618 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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