Basic information
- CAS
148152-68-5- Standard SMILES
C=C1[C@@H](C(=O)O)[C@@H]1C(=O)O- InChIKey
XZVHROKAQFFOCA-QWWZWVQMSA-N- Molecular formula
- C6H6O4
- Average molar mass
- 142.11 g/mol
- Monoisotopic mass
- 142.02660867
Overview
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Names & identifiers
- Preferred name
- (1S,2S)-3-methylidenecyclopropane-1,2-dicarboxylic acid
- IUPAC
- trans-(1S,2S)-3-methylidenecyclopropane-1,2-dicarboxylic acid
Names & synonyms
(1S,2S)-3-methylidenecyclopropane-1,2-dicarboxylic acid499-02-5(1S,2S)-3-methylenecyclopropane-1,2-dicarboxylic acid148152-68-5SCHEMBL712898XZVHROKAQFFOCA-QWWZWVQMSA-XZVHROKAQFFOCA-QWWZWVQMSA-NDTXSID801215743MFCD00001312STK330638AKOS005438118trans-3-Methylenecyclopropane-1,2-dicarboxylicacid
Show more names
trans-3-Methylidenecyclopropane-1,2-dicarboxylic acid(1S,2S)-3-Methylene-1,2-cyclopropanedicarboxylic acidInChI=1/C6H6O4/c1-2-3(5(7)8)4(2)6(9)10/h3-4H,1H2,(H,7,8)(H,9,10)/t3-,4-/m1/s1
Database identifiers
- CAS
148152-68-5、499-02-5- PubChem CID
- 736804
- DTXSID
DTXSID801215743- Nikkaji
- J232.227G
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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