CAS
5297-17-6 Purity
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5297-17-6 Purity
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Benzenepropanoic acid,5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(2,3-dihydro-3-oxo-1,2-benzisoxazol-6-yl)methoxy]-
CAS
530141-72-1
Catalog Number
ACM530141721
Category
Other Products
Molecular Weight
0
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Specification
Synonyms
Benzenepropanoic acid, 5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(2,3-dihydro-3-oxo-1,2-benzisoxazol-6-yl)Methoxy]-;T-5224
What is the molecular formula of Benzenepropanoic acid,5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(2,3-dihydro-3-oxo-1,2-benzisoxazol-6-yl)methoxy]?
The molecular formula is C29H27NO8.
When was the compound created and last modified?
The compound was created on December 17, 2007, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is 3-[5-(4-cyclopentyloxy-2-hydroxybenzoyl)-2-[(3-oxo-1,2-benzoxazol-6-yl)methoxy]phenyl]propanoic acid.
Can you provide the InChI of Benzenepropanoic acid,5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(2,3-dihydro-3-oxo-1,2-benzisoxazol-6-yl)methoxy]?
The InChI is InChI=1S/C29H27NO8/c31-24-15-21(37-20-3-1-2-4-20)8-10-22(24)28(34)19-6-11-25(18(14-19)7-12-27(32)33)36-16-17-5-9-23-26(13-17)38-30-29(23)35/h5-6,8-11,13-15,20,31H,1-4,7,12,16H2,(H,30,35)(H,32,33).
What is the InChIKey of Benzenepropanoic acid,5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(2,3-dihydro-3-oxo-1,2-benzisoxazol-6-yl)methoxy]?
The InChIKey is DALCQQSLNPLQFZ-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in the compound?
There are 3 hydrogen bond donor counts.
What is the hydrogen bond acceptor count of Benzenepropanoic acid,5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(2,3-dihydro-3-oxo-1,2-benzisoxazol-6-yl)methoxy]?
The hydrogen bond acceptor count is 8.
What is the topological polar surface area of the compound?
The topological polar surface area is 131Ų.
How many rotatable bond counts are there in Benzenepropanoic acid,5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(2,3-dihydro-3-oxo-1,2-benzisoxazol-6-yl)methoxy]?
There are 10 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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