Basic information
- CAS
530092-32-1- Standard SMILES
Cc1cc(N2CCCC2)ccc1C(=O)O- InChIKey
QURJBOJPCIBSDM-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- 2-Methyl-4-(1-pyrrolidinyl)benzoic acid
- IUPAC
- 2-methyl-4-pyrrolidin-1-ylbenzoic acid
- English name
- 2-Methyl-4-(1-pyrrolidinyl)benzoic acid
- Molecular formula
- C12H15NO2
- Molecular weight
- 205.25
Names & synonyms
2-methyl-4-(1-pyrrolidinyl)benzoic acid530092-32-12-Methyl-4-(pyrrolidin-1-yl)benzoic acid2-methyl-4-pyrrolidin-1-ylbenzoic acid2-Methyl-4-(pyrrolidin-1-yl)benzoicacidMFCD16686637AKOS011416202DB-338565F11694Benzoic acid, 2-methyl-4-(1-pyrrolidinyl)-
Database identifiers
- CAS
530092-32-1- PubChem CID
- 62135949
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Boiling point
- 401 ℃ · 401℃
- Density
- 1.188 · 1.188
- Flash point
- 196 ℃ · 196℃
Chemistry & industry
Suppliers6 total
Shanghai MOF Chemical Tech Limited13661494087 18964793018 · [email protected]
上海伯韵医药科技有限公司13817873692 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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