| CAS Number | 144825-18-3 |
| Catalog Number | AG001K7U(AGN-PC-0NE5V8) |
| Chemical Name | 4-(Hydroxymethyl)benzeneacetonitrile |
| IUPAC Name | 2-[4-(hydroxymethyl)phenyl]acetonitrile |
| InChI | InChI=1S/C9H9NO/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4,11H,5,7H2 |
| InChI Key | VLWFTSRLCNJFAE-UHFFFAOYSA-N |
| MDL Number | MFCD12911541 |
| Molecular Formula | C9H9NO |
| Molecular Weight | 147.1739 |
| SMILES | OCc1ccc(cc1)CC#N |
| Synonyms | 144825-18-3,
Benzeneacetonitrile, 4-(hydroxymethyl)-,
2-[4-(hydroxymethyl)phenyl]acetonitrile,
2-(4-(hydroxymethyl)phenyl)acetonitrile,
ACMC-20n4ay,
SCHEMBL4005403,
CTK0E9649,
DTXSID20451171,
VLWFTSRLCNJFAE-UHFFFAOYSA-N,
ZINC34596306,
(4-hydroxymethyl-phenyl)-acetonitrile,
AKOS024195499,
NE46991,
CID10997183,
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| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.177g/mol |
| Monoisotopic Mass | 147.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number