Basic information
- CAS
312746-96-6- Standard SMILES
O=C(O)c1ccc2c(c1)C(=O)N(c1ccccc1O)C2=O- InChIKey
LOCUVUONCCLSGK-UHFFFAOYSA-N- Molecular formula
- C15H9NO5
- Average molar mass
- 283.23 g/mol
- Monoisotopic mass
- 283.04807239
Names & identifiers
- Preferred name
- 2-(2-Hydroxyphenyl)-1,3-dioxoisoindoline-5-carboxylic acid
- IUPAC
- 2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
- English name
- CHEMBRDG-BB 5160622
- Molecular formula
- C15H9NO5
- Molecular weight
- 283.24
Names & synonyms
312746-96-62-(2-HYDROXYPHENYL)-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acidMFCD004118062-(2-hydroxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid2-(2-Hydroxyphenyl)-1,3-dioxo-5-isoindolinecarboxylic acid1H-isoindole-5-carboxylic acid, 2,3-dihydro-2-(2-hydroxyphenyl)-1,3-dioxo-BAS 00333071Oprea1_002532Oprea1_311215CBDivE_003426SCHEMBL8066752
Show more names
CHEMBRDG-BB 51606222-(2-hydroxyphenyl)-1,3-dioxo-isoindole-5-carboxylic acid1H-isoindole-5-carboxylic acid, 2,3-dihydro-2-(2-hydroxyph
SCHEMBL27713911DTXSID40353608ALBB-010598STK3915152-(2-Hydroxy-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acidAKOS000638088AT29804SB64223
Database identifiers
- CAS
312746-96-6
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 477
Physicochemical properties
- Boiling point
- 562.6 · 562.6±60.0 °C(Predicted)
- Density
- 1.593 · 1.593±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 3.33 · 3.33±0.20(Predicted)
- Appearance
- White to off-white Solid
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers11 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [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
Loading…