Benzyl cis-4-formylcyclohexylcarbamate - CAS 917022-26-5
Catalog: |
BB055087 |
Product Name: |
Benzyl cis-4-formylcyclohexylcarbamate |
CAS: |
917022-26-5 |
Synonyms: |
N-(cis-4-Formylcyclohexyl)-phenylmethyl Ester Carbamic Acid |
IUPAC Name: | benzyl N-(4-formylcyclohexyl)carbamate |
Description: | Benzyl cis-4-formylcyclohexylcarbamate |
Molecular Weight: | 261.32 |
Molecular Formula: | C15H19NO3 |
Canonical SMILES: | C1CC(CCC1C=O)NC(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C15H19NO3/c17-10-12-6-8-14(9-7-12)16-15(18)19-11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H,16,18) |
InChI Key: | SOIRQISQWQDGSN-UHFFFAOYSA-N |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.13649347 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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