| CAS Number | 28106-59-4 |
| Catalog Number | AG00BEMX(AGN-PC-0R3N5Q) |
| Chemical Name | BENZALDEHYDE-ALPHA-D1 |
| IUPAC Name | deuterio(phenyl)methanone |
| InChI | InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H/i6D |
| InChI Key | HUMNYLRZRPPJDN-RAMDWTOOSA-N |
| MDL Number | MFCD00084120 |
| Molecular Formula | C7H6O |
| Molecular Weight | 106.1219 |
| SMILES | C1=CC=C(C=C1)C=O |
| Synonyms | Benzaldehyde-d1,
Benz(aldehyde-d),
3592-47-0,
benzaldehydde,
Benzaldehyde-d,
Benzaldehyde-|A-d1,
(alpha-2H)Benzaldehyde,
SCHEMBL1331783,
DTXSID50447082,
MFCD00084120,
Benzaldehyde-alpha-d1, 98 atom % D,
ACM28106594,
28106-59-4,
Benzaldehyde-d{1},
Artificial Bitter Almond Oil,
CID10887848,
|
| Complexity | 72.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 107.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 1 |
| Molecular Weight | 107.13g/mol |
| Monoisotopic Mass | 107.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number