Basic information
- CAS
27415-09-4- Standard SMILES
O=C(O)CCC(=O)c1ccccc1C(=O)O- InChIKey
YIVWQNVQRXFZJB-UHFFFAOYSA-N- Molecular formula
- C11H10O5
- Average molar mass
- 222.19 g/mol
- Monoisotopic mass
- 222.05282342
Overview
2-succinylbenzoic acid is a dicarboxylic acid. It is functionally related to a benzoic acid. It is a conjugate acid of a 2-succinatobenzoate.
Names & identifiers
- Preferred name
- 2-Carboxy-gamma-oxobenzenebutanoic acid
- IUPAC
- 2-(3-carboxypropanoyl)benzoic acid
- English name
- o-succinylbenzoic acid
- Molecular formula
- C11H10O5
- Molecular weight
- 222.19
Names & synonyms
O-succinylbenzoate27415-09-4o-Succinylbenzoic acid4-(2'-Carboxyphenyl)-4-oxobutyric acidXX4Y7I0FTTDTXSID10181839RefChem:483536DTXCID001043302-Carboxy-gamma-oxobenzenebutanoic acid2-(3-Carboxypropanoyl)benzoic acid2-SuccinylbenzoateSuccinylbenzoate
Show more names
Benzenebutanoic acid, 2-carboxy-γ-oxo-
2-succinylbenzoic acidBenzenebutanoic acid, 2-carboxy-gamma-oxo-4-(2'-carboxyphenyl)-4-oxobutanoic acid4-(2-Carboxyphenyl)-4-oxobutanoic acidOSB2-(4-hydroxy-4-oxobutanoyl)benzoic acid2-(3-carboxypropionyl)benzoic acidUNII-XX4Y7I0FTT
Database identifiers
- CAS
27415-09-4- PubChem CID
- 955
- DTXSID
DTXSID10181839- ChEBI
CHEBI:44788- UNII
- XX4Y7I0FTT
- EC Number
- 182-435-7
- Nikkaji
- J387.833C
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 297
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- FDA UNII
- 4 Y7I0FTT · XX4Y7I0FTT
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Chemistry & industry
Suppliers6 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海伯韵医药科技有限公司13817873692 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海进取者生物医药科技有限公司19121164345; 1 · [email protected]
Additional notes
DefinitionChEBI: 2-succinylbenzoic acid is a dicarboxylic acid. It is functionally related to a benzoic acid. It is a conjugate acid of a 2-succinatobenzoate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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