1-Cyanocyclopentanecarboxylic acid - CAS 540490-54-8
Catalog: |
BB069122 |
Product Name: |
1-Cyanocyclopentanecarboxylic acid |
CAS: |
540490-54-8 |
Synonyms: |
1-cyanocyclopentanecarboxylic acid; 1-cyanocyclopentane-1-carboxylic Acid; Cyclopentanecarboxylic acid, 1-cyano-; 1-cyanocyclopentanecarboxylicacid |
IUPAC Name: | 1-cyanocyclopentane-1-carboxylic acid |
Description: | 1-Cyanocyclopentanecarboxylic acid |
Molecular Weight: | 139.15 |
Molecular Formula: | C7H9NO2 |
Canonical SMILES: | C1CCC(C1)(C#N)C(=O)O |
InChI: | InChI=1S/C7H9NO2/c8-5-7(6(9)10)3-1-2-4-7/h1-4H2,(H,9,10) |
InChI Key: | QNDGUJXCOJMPNP-UHFFFAOYSA-N |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.06332853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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