4-(2,5-Dimethylthiophen-3-yl)-4-oxobutanoic acid
Basic information
- CAS
6007-77-8- Standard SMILES
Cc1cc(C(=O)CCC(=O)O)c(C)s1- InChIKey
KGHDSIBUTCYURM-UHFFFAOYSA-N- Molecular formula
- C10H12O3S
- Average molar mass
- 212.27 g/mol
- Monoisotopic mass
- 212.05071541
Names & identifiers
- Preferred name
- 4-(2,5-Dimethylthiophen-3-yl)-4-oxobutanoic acid
- IUPAC
- 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoic acid
- English name
- 4-(2,5-Dimethylthien-3-yl)-4-oxobutanoic acid
- Molecular formula
- C10H12O3S
- Molecular weight
- 212.27
Names & synonyms
6007-77-84-(2,5-dimethylthiophen-3-yl)-4-oxobutanoic acid4-(2,5-dimethylthien-3-yl)-4-oxobutanoic acidMFCD05267742NSC170825DTXSID40305460SBB042710STL191139AKOS000268901NSC 170825NSC-170825NCGC00339502-01
Show more names
2,5-Dimethyl-γ-oxo-3-thiophenebutanoic acid2,5-Dimethyl-γ-oxo-3-thiophenebutanoic acid3-Thiophenebutanoic acid, 2,5-dimethyl-γ-oxo-2,5-Dimethyl-gamma-oxo-3-thiophenebutanoic acid
SY132499EN300-09327G23931AB01332534-024-(2,5-dimethyl(3-thienyl))-4-oxobutanoic acid4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoic acid4-(2,5-Dimethyl-3-thienyl)-4-oxobutanoic Acid4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoicacid
Database identifiers
- CAS
6007-77-8- PubChem CID
- 298611
- DTXSID
DTXSID40305460- EC Number
- 118-277-2
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- 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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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%)
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
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Compound notes
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