Basic information
- CAS
139492-18-5- Standard SMILES
CC1(C)C2CCC1(C(=O)O)C(=O)C2=O- InChIKey
IUDWGHRBQRGLDJ-UHFFFAOYSA-N- Molecular formula
- C10H12O4
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.07355886
Names & identifiers
- Preferred name
- 7,7-Dimethyl-2,3-dioxobicyclo(2.2.1)heptane-1-carboxylic acid
- IUPAC
- 7,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxylic acid
- English name
- AKOS BBS-00000233
- Molecular formula
- C10H12O4
- Molecular weight
- 196.2
Names & synonyms
139492-18-57,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxylic acid7,7-Dimethyl-2,3-dioxobicyclo(2.2.1)heptane-1-carboxylic acidRefChem:3098807,7-Dimethyl-2,3-dioxo-bicyclo[2.2.1]heptane-1-carboxylic acidSCHEMBL428929IUDWGHRBQRGLDJ-UHFFFAOYSA-NDTXSID801182411SBB038160STK685620AKOS000268359AKOS016038867
Show more names
AKOS BBS-00000233IFLAB-BB F1930-0008
EN300-239842F1930-00087,7-dimethyl-2,3-dioxobicyclo[2.2.1]heptanecarboxylic acid7,7-Dimethyl-2,3-dioxo-bicyclo[2.2.1]heptane-1-carboxylicacidBicyclo[2.2.1]heptane-1-carboxylic acid, 7,7-dimethyl-2,3-dioxo-
Database identifiers
- CAS
139492-18-5- PubChem CID
- 4736770
- DTXSID
DTXSID801182411- Nikkaji
- J2.725.873E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers4 total
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
药璞(上海)医药科技有限公司50929289 18616309303 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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