Basic information
- CAS
149288-65-3- Standard SMILES
O=C(O)c1ccc(COc2ccc3c(c2)CCC3)cc1- InChIKey
YIJFUZLNVSGATG-UHFFFAOYSA-N- Molecular formula
- C17H16O3
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.10994437
Names & identifiers
- Preferred name
- 4-(((2,3-Dihydro-1H-inden-5-yl)oxy)methyl)benzoic acid
- IUPAC
- 4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzoic acid
- English name
- 4-[(2,3-dihydro-1H-inden-5-yloxy)methyl]benzoic acid
- Molecular formula
- C17H16O3
- Molecular weight
- 268.31
Names & synonyms
149288-65-34-(((2,3-Dihydro-1H-inden-5-yl)oxy)methyl)benzoic acid4-[[(2,3-Dihydro-1H-inden-5-yl)oxy]methyl]benzoic acid4-{[(2,3-Dihydro-1H-inden-5-yl)oxy]methyl}benzoic acidRefChem:2862214-(Indan-5-yloxymethyl)-benzoic acid4-[(2,3-dihydro-1H-inden-5-yloxy)methyl]benzoic acid4-(2,3-dihydro-1H-inden-5-yloxymethyl)benzoic AcidCHEMBL13811784-(indan-5-yloxymethyl)benzoic acidMFCD02253728Oprea1_309236
Show more names
Benzoic acid, 4-[[(2,3-dihydro-1H-inden-5-yl)oxy]methyl]-
AK-968/41172220MLS000778102DTXSID701207490HMS2754F10ZFA28865BDBM50508815SBB020158STK054335
Database identifiers
- CAS
149288-65-3- PubChem CID
- 843045
- DTXSID
DTXSID701207490- ChEMBL
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Boiling point
- 468.6 · 468.6±45.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- pka
- 4.19 · 4.19±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
安徽合诺生物科技有限公司18455579438
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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