CAS
928713-22-8 Purity
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928713-22-8 Purity
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Asischem d19339
CAS
928713-26-2
Catalog Number
ACM928713262
Category
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What is the molecular formula of Asischem d19339 according to the reference?
The molecular formula of Asischem d19339 is C21H22N2O5.
When was Asischem d19339 created and last modified?
Asischem d19339 was created on 2007-11-13 and last modified on 2023-12-30.
What is the IUPAC name of Asischem d19339?
The IUPAC name of Asischem d19339 is 1-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the InChI of Asischem d19339?
The InChI of Asischem d19339 is InChI=1S/C21H22N2O5/c1-13-4-3-5-14(2)20(13)22-18(24)12-28-17-8-6-16(7-9-17)23-11-15(21(26)27)10-19(23)25/h3-9,15H,10-12H2,1-2H3,(H,22,24)(H,26,27).
What is the InChIKey of Asischem d19339?
The InChIKey of Asischem d19339 is DYOMUBGFRLFPAI-UHFFFAOYSA-N.
What is the Canonical SMILES of Asischem d19339?
The Canonical SMILES of Asischem d19339 is CC1=C(C(=CC=C1)C)NC(=O)COC2=CC=C(C=C2)N3CC(CC3=O)C(=O)O.
How many hydrogen bond donor counts does Asischem d19339 have?
Asischem d19339 has 2 hydrogen bond donor counts.
What is the topological polar surface area of Asischem d19339?
The topological polar surface area of Asischem d19339 is 95.9 Ų.
How many rotatable bond counts does Asischem d19339 have?
Asischem d19339 has 6 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound of Asischem d19339 is canonicalized.
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