Methyl 4-(cyclopentylcarbamoyl)benzoate - CAS 1325090-17-2
Catalog: |
BB076198 |
Product Name: |
Methyl 4-(cyclopentylcarbamoyl)benzoate |
CAS: |
1325090-17-2 |
Synonyms: |
methyl 4-(cyclopentylcarbamoyl)benzoate; Methyl4-(cyclopentylcarbamoyl)benzoate |
IUPAC Name: | methyl 4-(cyclopentylcarbamoyl)benzoate |
Description: | Methyl 4-(cyclopentylcarbamoyl)benzoate |
Molecular Weight: | 247.29 |
Molecular Formula: | C14H17NO3 |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)C(=O)NC2CCCC2 |
InChI: | InChI=1S/C14H17NO3/c1-18-14(17)11-8-6-10(7-9-11)13(16)15-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3,(H,15,16) |
InChI Key: | IQUHHIBXJLSSFA-UHFFFAOYSA-N |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.1208434 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.1208434 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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