3-[4-(Morpholinylmethyl)phenyl]-3-oxopropanenitrile - CAS 494772-88-2
Catalog: |
BB076315 |
Product Name: |
3-[4-(Morpholinylmethyl)phenyl]-3-oxopropanenitrile |
CAS: |
494772-88-2 |
Synonyms: |
3-[4-(Morpholin-4-ylmethyl)phenyl]-3-oxopropanenitrile; 3-(4-(Morpholinomethyl)phenyl)-3-oxopropanenitrile; 3-(4-Morpholin-4-ylmethyl-phenyl)-3-oxo-propionitrile; 3-{4-[(Morpholin-4-yl)methyl]phenyl}-3-oxopropanenitrile; 3-[4-(Morpholinylmethyl)phenyl]-3-oxopropanenitrile |
IUPAC Name: | 3-[4-(morpholin-4-ylmethyl)phenyl]-3-oxopropanenitrile |
Molecular Weight: | 244.29 |
Molecular Formula: | C14H16N2O2 |
Canonical SMILES: | C1COCCN1CC2=CC=C(C=C2)C(=O)CC#N |
InChI: | InChI=1S/C14H16N2O2/c15-6-5-14(17)13-3-1-12(2-4-13)11-16-7-9-18-10-8-16/h1-4H,5,7-11H2 |
InChI Key: | AHCJOBZGEGPAPD-UHFFFAOYSA-N |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.121177757 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.121177757 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 53.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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