| CAS Number | 1073477-06-1 |
| Catalog Number | AG0093N0(AGN-PC-0WR26U) |
| Chemical Name | 1-(4-Hydroxyphenyl)cyclopropanecarbonitrile |
| IUPAC Name | 1-(4-hydroxyphenyl)cyclopropane-1-carbonitrile |
| InChI | InChI=1S/C10H9NO/c11-7-10(5-6-10)8-1-3-9(12)4-2-8/h1-4,12H,5-6H2 |
| InChI Key | OBQVBHSAWPVHET-UHFFFAOYSA-N |
| MDL Number | MFCD19692083 |
| Molecular Formula | C10H9NO |
| Molecular Weight | 159.1846 |
| SMILES | OC1=CC=C(C=C1)C1(CC1)C#N |
| Synonyms | 1073477-06-1,
1-(4-Hydroxyphenyl)cyclopropanecarbonitrile,
1-(4-hydroxyphenyl)cyclopropane-1-carbonitrile,
AKOS027427305,
1-(4-Hydroxy-phenyl)-cyclopropanecarbonitrile,
A1-08020,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.188g/mol |
| Monoisotopic Mass | 159.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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