| CAS Number | 1951439-73-8 |
| Catalog Number | AG00I36P(AGN-PC-0WQZ5L) |
| Chemical Name | tert-Butyl N-[1-(4-formylphenyl)cyclopropyl]carbamate |
| IUPAC Name | tert-butyl N-[1-(4-formylphenyl)cyclopropyl]carbamate |
| InChI | InChI=1S/C15H19NO3/c1-14(2,3)19-13(18)16-15(8-9-15)12-6-4-11(10-17)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,16,18) |
| InChI Key | PYFQCXADTGZNLP-UHFFFAOYSA-N |
| MDL Number | MFCD29764360 |
| Molecular Formula | C15H19NO3 |
| Molecular Weight | 261.3163 |
| SMILES | O=C(OC(C)(C)C)NC1(C2=CC=C(C=O)C=C2)CC1 |
| Synonyms | tert-Butyl N-[1-(4-formylphenyl)cyclopropyl]carbamate,
1951439-73-8,
ZINC390824753,
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| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.321g/mol |
| Monoisotopic Mass | 261.136g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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