Basic information
- CAS
67471-01-6- Standard SMILES
O=C(O)C1=COc2ccccc2O1- InChIKey
ROTKCPXNSAQNCI-UHFFFAOYSA-N- Molecular formula
- C9H6O4
- Average molar mass
- 178.14 g/mol
- Monoisotopic mass
- 178.02660867
Names & identifiers
- Preferred name
- 1,4-Benzodioxin-2-carboxylic acid
- IUPAC
- 1,4-benzodioxine-3-carboxylic acid
- English name
- 1,4-Benzodioxin-2-carboxylic acid
- Molecular formula
- C9H6O4
- Molecular weight
- 178.14154
Names & synonyms
67471-01-61,4-Benzodioxin-2-carboxylic acidDTXSID30440677RefChem:220109DTXCID903914991,4-benzodioxine-2-carboxylic acidBenzo[b][1,4]dioxine-2-carboxylic acid1,4-benzodioxine-3-carboxylic acidSCHEMBL4204148ROTKCPXNSAQNCI-UHFFFAOYSA-NSCA47101AKOS006286278
Show more names
Benzo[b][1,4]dioxine-2-carboxylicacidEN300-190980
Database identifiers
- CAS
67471-01-6- PubChem CID
- 10487541
- DTXSID
DTXSID30440677- Nikkaji
- J1.090.155C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- 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
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
2 records
Compound notes
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