Basic information
- CAS
18305-61-8- Standard SMILES
CC(C)(C)/C(=C/C(=O)O)C(=O)O- InChIKey
VZVNPHQRMOLXML-SNAWJCMRSA-N- Molecular formula
- C8H12O4
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.07355886
Names & identifiers
- Preferred name
- tert-Butyl maleic acid
- IUPAC
- (Z)-2-tert-butylbut-2-enedioic acid
- English name
- (Z)-2-tert-butylbut-2-enedioic acid
- Molecular formula
- C8H12O4
- Molecular weight
- 172.17848
Names & synonyms
tert-butyl maleic acidDTXSID2021521RefChem:383780DTXCID101521NOCAS_21521(2Z)-2-tert-butylbut-2-enedioic acid2-t-butylmaleic acidSCHEMBL3630555(Z)-2-tert-butylbut-2-enedioic acid
Database identifiers
- CAS
18305-61-8- PubChem CID
- 5284487
- DTXSID
DTXSID2021521- Nikkaji
- J2.006.404H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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