Isobutyrate
Completing data — refresh the page later to see the latest
Basic information
- CAS
5711-69-3- Standard SMILES
CC(C)C(=O)[O-]- InChIKey
KQNPFQTWMSNSAP-UHFFFAOYSA-M- Molecular formula
- C4H7O2-
- Average molar mass
- 87.1 g/mol
- Monoisotopic mass
- 87.04460446
Names & identifiers
- Preferred name
- Isobutyrate
- IUPAC
- 2-methylpropanoate
Names & synonyms
IsobutyrateCHEBI:48944RefChem:10875172-Methylpropanoate5711-69-3Propanoic acid, 2-methyl-, ion(1-)2-Methylpropionatei-butyrateiso-ButyrateCHEMBL1762641Isobutyratisobutric acid
Show more names
iPrCO2 anionisobutyric acid anionKQNPFQTWMSNSAP-UHFFFAOYSA-MDTXSID201295917BDBM50340058Q27104639
Database identifiers
- CAS
5711-69-3- PubChem CID
- 165337
- DTXSID
DTXSID201295917- ChEBI
CHEBI:48944- Nikkaji
- J1.914.708H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- -1
- Complexity
- 51
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
9 records
Compound notes
Loading…