1-Formylcyclopropane-2-carboxylic acid
Basic information
- CAS
103425-17-8- Standard SMILES
O=CC1CC1C(=O)O- InChIKey
VOVAKSXCTQYGIH-UHFFFAOYSA-N- Molecular formula
- C5H6O3
- Average molar mass
- 114.1 g/mol
- Monoisotopic mass
- 114.03169405
Overview
structure given in first source; RN given refers to (cis)-isomer; RN for cpd without isomeric designation not available 11/89
Names & identifiers
- Preferred name
- 1-Formylcyclopropane-2-carboxylic acid
- IUPAC
- 2-formylcyclopropane-1-carboxylic acid
- English name
- 1-formylcyclopropane-2-carboxylic acid
- Molecular formula
- C5H6O3
- Molecular weight
- 114.1
Names & synonyms
1-Formylcyclopropane-2-carboxylic acid103425-17-8RefChem:758362-formylcyclopropane-1-carboxylic acidCPSSA405897-29-22-formylcyclopropanecarboxylic acidSCHEMBL662559SCHEMBL28978408DTXSID00908375VOVAKSXCTQYGIH-UHFFFAOYSA-NAKOS006378615
Show more names
Cyclopropanecarboxylic acid, 2-formyl-, cis- (9CI)
DA-26190EN300-149387(trans)-isomer of 1-formylcyclopropane-2-carboxylic acid
Database identifiers
- CAS
103425-17-8- PubChem CID
- 124615
- DTXSID
DTXSID00908375
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 267.08 · 267.080±33.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.583 · 1.583±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.59 · 4.590±0.20(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
1 records
Compound notes
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