Basic information
- CAS
7421-76-3- Standard SMILES
COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1- InChIKey
BWCXIEOVFGKDBR-UHFFFAOYSA-N- Molecular formula
- C17H12O3
- Average molar mass
- 264.27 g/mol
- Monoisotopic mass
- 264.07864424
Names & identifiers
- Preferred name
- 2-(4-Methoxybenzylidene)-1H-indene-1,3(2H)-dione
- IUPAC
- 2-[(4-methoxyphenyl)methylidene]indene-1,3-dione
- English name
- Indane-1,3-dione, 2-(4-methoxybenzylideno)-
- Molecular formula
- C17H12O3
- Molecular weight
- 264.28
Names & synonyms
7421-76-32-(4-Methoxybenzylidene)-1H-indene-1,3(2H)-dioneNSC6366191H-Indene-1,3(2H)-dione, 2-[(4-methoxyphenyl)methylene]-2-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-indene-1,3-dione2-[(4-methoxyphenyl)methylene]indane-1,3-dione2-((4-METHOXYPHENYL)METHYLENE)INDANE-1,3-DIONE2-[(4-Methoxyphenyl)methylidene]-1H-indene-1,3(2H)-dione2-[(4-methoxyphenyl)methylidene]indene-1,3-dioneCHEMBL25577F1135-0018IFLab1_004832
Show more names
Indane-1,3-dione, 2-(4-methoxybenzylideno)-
SCHEMBL28306641DTXSID70327170BWCXIEOVFGKDBR-UHFFFAOYSA-NHMS1425L14HAA42176MFCD00245788STK361823AKOS001014274
Database identifiers
- CAS
7421-76-3- PubChem CID
- 367151
- DTXSID
DTXSID70327170- ChEMBL
CHEMBL25577- EC Number
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Melting point
- 155 · 155-156 °C
- Boiling point
- 479.2 · 479.2±45.0 °C(Predicted)
- Density
- 1.299 · 1.299±0.06 g/cm3(Predicted)
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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 CategoriesSkin Sens. 1 (100%)
Chemistry & industry
Suppliers6 total
HONEST JOY HOLDINGS LIMITED[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
IFLAB-BB[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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