6-Oxospiro(3.3)heptane-2,2-dicarboxylic acid
Basic information
- CAS
1023814-92-7- Standard SMILES
O=C1CC2(C1)CC(C(=O)O)(C(=O)O)C2- InChIKey
DQCDFXIUPJNZGB-UHFFFAOYSA-N- Molecular formula
- C9H10O5
- Average molar mass
- 198.17 g/mol
- Monoisotopic mass
- 198.05282342
Names & identifiers
- Preferred name
- 6-Oxospiro(3.3)heptane-2,2-dicarboxylic acid
- IUPAC
- 6-oxospiro[3.3]heptane-2,2-dicarboxylic acid
- English name
- 6-Oxospiro[3.3]heptane-2,2-dicarboxylic acid - X4473
- Molecular formula
- C9H10O5
- Molecular weight
- 198.17
Names & synonyms
6-oxospiro[3.3]heptane-2,2-dicarboxylic acid1023814-92-76-Oxospiro(3.3)heptane-2,2-dicarboxylic acidRefChem:544245993-090-4MFCD097542836-oxospiro[3.3]heptane-2,2-dicarboxylicacidAKOS006229341SY382844DB-118755CS-0054344EN300-88780
Show more names
Spiro[3.3]heptane-2,2-dicarboxylic acid, 6-oxo-
G916286-Oxospiro[3.3]heptane-2,2-dicarboxylicacid-X44736-Oxospiro[3.3]heptane-2,2-dicarboxylic acid - X4473
Database identifiers
- CAS
1023814-92-7- PubChem CID
- 33699005
- EC Number
- 993-090-4
- Nikkaji
- J2.688.369E
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Boiling point
- 487.9 · 487.9±45.0 °C(Predicted)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- pka
- 1.73 · 1.73±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
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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