| CAS Number | 124283-45-0 |
| Catalog Number | AG00HHM8(AGN-PC-0O0OUP) |
| Chemical Name | 3-(Dimethoxymethyl)benzonitrile |
| IUPAC Name | 3-(dimethoxymethyl)benzonitrile |
| InChI | InChI=1S/C10H11NO2/c1-12-10(13-2)9-5-3-4-8(6-9)7-11/h3-6,10H,1-2H3 |
| InChI Key | BTCNYDXETCMMLH-UHFFFAOYSA-N |
| MDL Number | MFCD29043340 |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.1998 |
| SMILES | COC(c1cccc(c1)C#N)OC |
| Synonyms | 3-(Dimethoxymethyl)benzonitrile,
124283-45-0,
SCHEMBL19715854,
ALBB-031536,
MFCD29043340,
AKOS027359349,
ZINC218389484,
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| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.203g/mol |
| Monoisotopic Mass | 177.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number