4-(Acetylamino)cyclohexanecarboxylic Acid - CAS 90942-88-4
Catalog: |
BB075178 |
Product Name: |
4-(Acetylamino)cyclohexanecarboxylic Acid |
CAS: |
90942-88-4 |
Synonyms: |
4-acetamidocyclohexane-1-carboxylic acid; cis-4-Acetamidocyclohexanecarboxylic acid; (1R,4r)-4-acetamidocyclohexane-1-carboxylic acid; (1s,4s)-4-acetamidocyclohexane-1-carboxylic acid; 4-acetamidocyclohexane-1-carboxylic acid, Mixture of diastereomers |
IUPAC Name: | 4-acetamidocyclohexane-1-carboxylic acid |
Molecular Weight: | 185.22 |
Molecular Formula: | C9H15NO3 |
Canonical SMILES: | CC(=O)NC1CCC(CC1)C(=O)O |
InChI: | InChI=1S/C9H15NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h7-8H,2-5H2,1H3,(H,10,11)(H,12,13) |
InChI Key: | RQFVEAIRYQPUCC-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.10519334 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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