Basic information
- CAS
5010-53-7- Standard SMILES
Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)O- InChIKey
YYQFBUCGMUABMK-UHFFFAOYSA-N- Molecular formula
- C17H14O4
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.08920892
Names & identifiers
- Preferred name
- 5-(Benzyloxy)-2-methyl-1-benzofuran-3-carboxylic acid
- IUPAC
- 2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
- English name
- CHEMBRDG-BB 6239509
- Molecular formula
- C17H14O4
- Molecular weight
- 282.29
Names & synonyms
5010-53-75-(benzyloxy)-2-methyl-1-benzofuran-3-carboxylic acid5-(benzyloxy)-2-methylbenzofuran-3-carboxylic acidCHEMBL6120880MFCD01847521CHEMBRDG-BB 62395092-methyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acidOprea1_072937Oprea1_1249745-Benzyloxy-2-methyl-benzofuran-3-carboxylic acidSCHEMBL24470655SCHEMBL29713158
Show more names
3-Benzofurancarboxylic acid, 2-methyl-5-(phenylmethoxy)-5-(benzyloxy)-2-methyl-1-benzofuran-3-carboxylic acid(SALTDATA: FREE)
BDBM50653514STK922593AKOS001616392CCG-311843BS-38030DB-206395CS-0323048ST50038317
Database identifiers
- CAS
5010-53-7- PubChem CID
- 708271
- ChEMBL
CHEMBL6120880- EC Number
- 166-196-6
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
- 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.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, 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 CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
天津福瑞凯科技有限公司15602163079 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…