Basic information
- CAS
499-02-5- Standard SMILES
C=C1C(C(=O)O)C1C(=O)O- InChIKey
XZVHROKAQFFOCA-UHFFFAOYSA-N- Molecular formula
- C6H6O4
- Average molar mass
- 142.11 g/mol
- Monoisotopic mass
- 142.02660867
Names & identifiers
- Preferred name
- trans-3-Methylenecyclopropane-1,2-dicarboxylic acid
- IUPAC
- 3-methylidenecyclopropane-1,2-dicarboxylic acid
Names & synonyms
trans-3-Methylenecyclopropane-1,2-dicarboxylic acidEINECS 207-874-4NSC 622663RefChem:898798207-874-43-methylidenecyclopropane-1,2-dicarboxylic acid45786-15-0499-02-53-Methylenecyclopropane-1,2-dicarboxylic acidNSC622663SCHEMBL5485411CHEMBL1984577
Show more names
DTXSID90964465AKOS000121944NSC-6226633-methylenecyclopropane-1,2-dicarboxylicNCI60_006704NS00043584ST503084563-Methylene-1,2-cyclopropanedicarboxylic acid
Database identifiers
- CAS
499-02-5、75880-66-9- PubChem CID
- 360528
- DTXSID
DTXSID90964465- ChEMBL
CHEMBL1984577- EC Number
- 123-662-3、207-874-4
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
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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