HomeProducts2,3-Dimethoxyphenylacetonitrile
Chemical structure of CAS 4468-57-9

2,3-Dimethoxyphenylacetonitrile

CAS No.4468-57-9
MDL No.MFCD00016387
MFC10H11NO2
MW177.2
InChI KeyVAOKGCHIOACZHR-UHFFFAOYSA-N
PilotCapacity
98%+Purity
ReadyProduction Status
24 Jan 2025Updated
* This information does not mean that the product will necessarily be commercially available. Please check with our support team for commercial availability of this product. You may read more about this at terms & conditions.
Inquiry Now

Applications

Drug ImpuritiesProteomicsMaterial Science
* We gather applications based on insights from our experts and client feedback to ensure relevance and accuracy. However, as specific use cases may vary, we recommend reaching out to us for precise guidance or clarification.

Identifiers

Canonical SMILESCOC1=CC=CC(=C1OC)CC#N
Isomeric SMILESCOC1=CC=CC(=C1OC)CC#N
IUPAC Name2-(2,3-dimethoxyphenyl)acetonitrile
InChIInChI=1S/C10H11NO2/c1-12-9-5-3-4-8(6-7-11)10(9)13-2/h3-5H,6H2,1-2H3
InChI KeyVAOKGCHIOACZHR-UHFFFAOYSA-N

Computational Chemistry

Heavy Atom Count13Rotatable Bond Count3
Atom Stereo Count0Bond Stereo Count0
HBA3HBD0
TPSA42.250 ŲCharge0
Exact Mass177.07898Complexity328.19
pKa6.620XLogP1.770

Regulatory Information

RegulationName on FileCountriesSource
No record for this product on our list currently.
* Information is for reference only. Please verify all details and regulations through official and authoritative channels.