2-(4-pyridinyl)Benzeneacetic acid
Basic information
- CAS
887566-89-4- Standard SMILES
O=C(O)Cc1ccccc1-c1ccncc1- InChIKey
WIXBAKSNYQTPOT-UHFFFAOYSA-N- Molecular formula
- C13H11NO2
- Average molar mass
- 213.23 g/mol
Names & identifiers
- Preferred name
- 2-(4-pyridinyl)Benzeneacetic acid
- IUPAC
- 2-(2-pyridin-4-ylphenyl)acetic acid
- English name
- 2-(4-Pyridinyl)-benzeneacetic acid
- Molecular formula
- C13H11NO2
- Molecular weight
- 213.23
Names & synonyms
2-(4-pyridinyl)Benzeneacetic acid887566-89-42-(2-pyridin-4-ylphenyl)acetic AcidMFCD118493352-(2-(Pyridin-4-yl)phenyl)acetic acidSCHEMBL37375032-(4-pyridinyl)Benzeneaceticacid2-[2-(4-pyridyl)phenyl]acetic acidDA-01504CS-04585562-(4-Pyridinyl)-benzeneacetic acidBenzeneacetic acid, 2-(4-pyridinyl)-
Database identifiers
- CAS
887566-89-4
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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