Basic information
- CAS
75880-66-9- Standard SMILES
C=C1[C@H](C(=O)O)[C@H]1C(=O)O- InChIKey
XZVHROKAQFFOCA-IMJSIDKUSA-N- Molecular formula
- C6H6O4
- Average molar mass
- 142.11 g/mol
- Monoisotopic mass
- 142.02660867
Overview
structure in first source
Names & identifiers
- Preferred name
- Feist'S acid
- IUPAC
- trans-(1R,2R)-3-methylidenecyclopropane-1,2-dicarboxylic acid
Names & synonyms
Feist'S acid3-Methylenecyclopropane-trans-1,2-dicarboxylic acid1,2-Cyclopropanedicarboxylic acid, 3-methylene-, trans-3-Methylene-cyclopropane-1,2-dicarboxylic acidtrans-1-Methylene cyclopropane-2,3-dicarboxylic acid3-Methylenecyclopropane-1,2-dicarboxylic acid, trans-dl-3-Methylenecyclopropane-trans-1,2-dicarboxylic acidRefChem:140073XZVHROKAQFFOCA-IMJSIDKUSA-N499-02-5rac-(1r,2r)-3-methylidenecyclopropane-1,2-dicarboxylic acid(1R,2R)-3-methylenecyclopropane-1,2-dicarboxylic acid
Show more names
75880-66-9(1R,2R)-3-methylidenecyclopropane-1,2-dicarboxylic acidSCHEMBL8954801(1R,2R)-3-methylene-1,2-cyclopropanedicarboxylic acidSBB008097AKOS0251166673-Methylene-1,2-cyclopropanedicarboxylic acid #EN300-6497500
Database identifiers
- CAS
75880-66-9- PubChem CID
- 736643
- EC Number
- 123-662-3
- Nikkaji
- J232.226I
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 196
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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