| CAS Number | 22252-92-2 |
| Catalog Number | AG00BD86(AGN-PC-0QYV2B) |
| Chemical Name | (2Z)-3-Hydroxy-2-phenylacrylonitrile |
| IUPAC Name | (E)-3-hydroxy-2-phenylprop-2-enenitrile |
| InChI | InChI=1S/C9H7NO/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,7,11H/b9-7- |
| InChI Key | GQNBRISQKUALEP-CLFYSBASSA-N |
| MDL Number | MFCD00137446 |
| Molecular Formula | C9H7NO |
| Molecular Weight | 145.1580 |
| NSC Number | 17323 |
| SMILES | C1=CC=CC(/C(/C#N)=C/O)=C1 |
| Synonyms | 22252-92-2,
(E)-3-hydroxy-2-phenylacrylonitrile,
2-CYANO-2-PHENYLVINYLALCOHOL,
SCHEMBL2037488,
NSC17323,
NSC-17323,
(Z)-2-Phenyl-3-hydroxypropenenitrile,
AKOS015890618,
ZINC100021718,
alpha-(Hydroxymethylene)benzeneacetonitrile,
62914-60-7,
3-Hydroxy-2-phenylacrylonitrile,
AC1Q4QFM,
3-hydroxy-2-phenylprop-2-enenitrile,
C9-H7-N-O,
EINECS 244-871-7,
AR-1F3576,
I01-7203,
5841-70-3,
22795-63-7,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 145.052764g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.16g/mol |
| Monoisotopic Mass | 145.052764g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number