| CAS Number | 883523-41-9 |
| Catalog Number | AG01FOFL(AGN-PC-0WC5AE) |
| Chemical Name | 6-(Cyclopropylmethoxy)[1,1'-biphenyl]-3-carbaldehyde |
| IUPAC Name | 4-(cyclopropylmethoxy)-3-phenylbenzaldehyde |
| InChI | InChI=1S/C17H16O2/c18-11-14-8-9-17(19-12-13-6-7-13)16(10-14)15-4-2-1-3-5-15/h1-5,8-11,13H,6-7,12H2 |
| InChI Key | MGLRINOGYAYMPP-UHFFFAOYSA-N |
| Molecular Formula | C17H16O2 |
| Molecular Weight | 252.3077 |
| SMILES | C1CC1COC2=C(C=C(C=C2)C=O)C3=CC=CC=C3 |
| Synonyms | 6-(Cyclopropylmethoxy)[1,1'-biphenyl]-3-carbaldehyde,
883523-41-9,
6-(Cyclopropylmethoxy)-[1,1'-biphenyl]-3-carbaldehyde,
CTK7H9202,
ZINC42784094,
AKOS015840780,
4-(cyclopropylmethoxy)-3-phenylbenzaldehyde,
AJ-107922,
TR-070271,
6-(cyclopropylmethoxy)[1,1-biphenyl]-3-carbaldehyde,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.313g/mol |
| Monoisotopic Mass | 252.115g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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