Basic information
- CAS
5434-63-9- Standard SMILES
O=C(O)C1CC2c3ccccc3C1c1ccccc12- InChIKey
LZKBBIGRPXLMRB-UHFFFAOYSA-N- Molecular formula
- C17H14O2
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.09937969
Names & identifiers
- Preferred name
- Tetracyclo(6.6.2.0^(2,7).0^(9,14))hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
- IUPAC
- tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
- English name
- 9,10-Ethanoanthracene-11-carboxylic acid, 9,10-dihydro-
- Molecular formula
- C17H14O2
- Molecular weight
- 250.29
Names & synonyms
tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acidTetracyclo(6.6.2.0^(2,7).0^(9,14))hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acidRefChem:896844989-634-59,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid5434-63-9NSC13679SCHEMBL7761507CHEMBL3105368SCHEMBL31236388LZKBBIGRPXLMRB-UHFFFAOYSA-NMFCD02684810
Show more names
9,10-Ethanoanthracene-11-carboxylic acid, 9,10-dihydro-
NSC-13679NSC122877AKOS024322305NSC-122877SY574552EN300-6492125AG-205/323750189,10-dihydro-9,10-ethanoanthracene-11-carboxylicacid
Database identifiers
- CAS
5434-63-9- PubChem CID
- 224849
- ChEMBL
CHEMBL3105368- EC Number
- 989-634-5
- Nikkaji
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Melting point
- 189 · 189-191 °C(Solv: benzene (71-43-2))
- Boiling point
- 443.9 · 443.9±45.0 °C(Predicted)
- Density
- 1.284 · 1.284±0.06 g/cm3(Predicted)
- pka
- 4.35 · 4.35±0.20(Predicted)
- 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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin 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
Suppliers1 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Related reactions
2 records
Compound notes
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