Basic information
- CAS
730951-34-5- Standard SMILES
O=C(O)Cc1coc2cc3c(cc12)CCC3- InChIKey
FFQRKQKXMFFTME-UHFFFAOYSA-N- Molecular formula
- C13H12O3
- Average molar mass
- 216.23 g/mol
- Monoisotopic mass
- 216.07864424
Names & identifiers
- Preferred name
- 2-(5H,6H,7H-indeno(5,6-b)furan-3-yl)acetic acid
- IUPAC
- 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetic acid
- English name
- (6,7-DIHYDRO-5H-1-OXA-S-INDACEN-3-YL)-ACETIC ACID
- Molecular formula
- C13H12O3
- Molecular weight
- 216.23
Names & synonyms
730951-34-52-{5H,6H,7H-indeno[5,6-b]furan-3-yl}acetic acid2-(5H,6H,7H-indeno(5,6-b)furan-3-yl)acetic acidRefChem:459031875-184-6(6,7-Dihydro-5H-1-oxa-s-indacen-3-yl)-acetic acid2-(6,7-Dihydro-5H-indeno[5,6-b]furan-3-yl)acetic acid2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetic acidMLS000774639CHEMBL1880129SCHEMBL20588726HMS2738C05
Show more names
6,7-Dihydro-5H-indeno[5,6-b]furan-3-acetic acid5H-Indeno[5,6-b]furan-3-acetic acid, 6,7-dihydro-
MFCD04621692AKOS008967099SMR000372399EN300-06206F76383AB00587713-02SR-010000469972-{5H,6H,7H-indeno[5,6-b]furan-3-yl}aceticacid
Database identifiers
- CAS
730951-34-5- PubChem CID
- 2394017
- ChEMBL
CHEMBL1880129- EC Number
- 875-184-6
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Boiling point
- 396 · 396.0±37.0 °C(Predicted)
- Density
- 1.327 · 1.327±0.06 g/cm3(Predicted)
- pka
- 4.2 · 4.20±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers4 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州匠化生物科技有限公司0512-0000000 15151741136 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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