97000-30-1

Name 5-(3-METHOXYPHENYL)NICOTINIC ACID
CAS 97000-30-1
Molecular Formula C13H11NO3
MDL Number MFCD06410273
Molecular Weight 229.23
MOL File 97000-30-1.mol

Chemical Properties

Boiling point  442.2±35.0 °C(Predicted)
density  1.242±0.06 g/cm3(Predicted)
form  solid
pka 2.11±0.10(Predicted)
InChI 1S/C13H11NO3/c1-17-12-4-2-3-9(6-12)10-5-11(13(15)16)8-14-7-10/h2-8H,1H3,(H,15,16)
InChIKey ZHXBRJDPUURFHR-UHFFFAOYSA-N
SMILES O=C(O)C1=CN=CC(C2=CC=CC(OC)=C2)=C1

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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