CAS
932041-13-9 Purity
96%
932041-13-9 Purity
96%
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O-[4-(N-Cyclopentyl-N-ethylamino)-2-hydroxybenzoyl]benzoic acid
CAS
93205-19-7
Catalog Number
ACM93205197
Category
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What is the molecular formula of O-[4-(N-Cyclopentyl-N-ethylamino)-2-hydroxybenzoyl]benzoic acid?
The molecular formula is C21H23NO4.
When was O-[4-(N-Cyclopentyl-N-ethylamino)-2-hydroxybenzoyl]benzoic acid created and last modified?
It was created on 2007-02-08 and last modified on 2023-12-30.
What is the IUPAC name of O-[4-(N-Cyclopentyl-N-ethylamino)-2-hydroxybenzoyl]benzoic acid?
The IUPAC name is 2-[4-[cyclopentyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid.
What is the InChI of O-[4-(N-Cyclopentyl-N-ethylamino)-2-hydroxybenzoyl]benzoic acid?
The InChI is InChI=1S/C21H23NO4/c1-2-22(14-7-3-4-8-14)15-11-12-18(19(23)13-15)20(24)16-9-5-6-10-17(16)21(25)26/h5-6,9-14,23H,2-4,7-8H2,1H3,(H,25,26).
What is the InChIKey of O-[4-(N-Cyclopentyl-N-ethylamino)-2-hydroxybenzoyl]benzoic acid?
The InChIKey is QLHPYZBAGDNJJC-UHFFFAOYSA-N.
What is the Canonical SMILES of O-[4-(N-Cyclopentyl-N-ethylamino)-2-hydroxybenzoyl]benzoic acid?
The Canonical SMILES is CCN(C1CCCC1)C2=CC(=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O.
What is the XLogP3-AA of O-[4-(N-Cyclopentyl-N-ethylamino)-2-hydroxybenzoyl]benzoic acid?
The XLogP3-AA is 4.7.
How many hydrogen bond donor counts does O-[4-(N-Cyclopentyl-N-ethylamino)-2-hydroxybenzoyl]benzoic acid have?
It has 2 hydrogen bond donor counts.
What is the topological polar surface area of O-[4-(N-Cyclopentyl-N-ethylamino)-2-hydroxybenzoyl]benzoic acid?
The topological polar surface area is 77.8 Ų.
Is O-[4-(N-Cyclopentyl-N-ethylamino)-2-hydroxybenzoyl]benzoic acid a canonicalized compound?
Yes, it is a canonicalized compound.
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