Basic information
- CAS
1291744-36-9- Standard SMILES
O=C(O)Cc1cccc(OCc2ccccn2)c1- InChIKey
JREBDOQLTLBUIN-UHFFFAOYSA-N- Molecular formula
- C14H13NO3
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.08954328
Names & identifiers
- Preferred name
- 2-(3-(Pyridin-2-ylmethoxy)phenyl)acetic acid
- IUPAC
- 2-[3-(pyridin-2-ylmethoxy)phenyl]acetic acid
Names & synonyms
2-[3-(pyridin-2-ylmethoxy)phenyl]acetic acid1291744-36-92-(3-(Pyridin-2-ylmethoxy)phenyl)acetic acidRefChem:455012842-923-92-{3-[(pyridin-2-yl)methoxy]phenyl}acetic acidRBC74436MFCD13481303AKOS0106580582-[3-(pyridin-2-ylmethoxy)phenyl]aceticacidEN300-126014Z816000390
Database identifiers
- CAS
1291744-36-9- PubChem CID
- 61398253
- EC Number
- 842-923-9
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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