CAS
96999-01-8 Purity
96%
96999-01-8 Purity
96%
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3-(2-Benzoxazolyl)umbelliferyl octanoate,for fluorescence
CAS
97004-80-3
Catalog Number
ACM97004803
Category
Other Products
Molecular Weight
405.44
Molecular Formula
C24H23NO5
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Specification
Synonyms
3-(2-Benzoxazolyl)-7-octanoyloxycoumarin, 3-(2-Benzoxazolyl)umbelliferyl octanoate, 97004-80-3, AC1N38FQ, 12835_FLUKA, CTK5H9047, AG-H-96395, KB-232550, [3-(1,3-benzoxazol-2-yl)-2-oxochromen-7-yl] octanoate
IUPAC Name
[3-(1,3-benzoxazol-2-yl)-2-oxochromen-7-yl] octanoate
SMILES
CCCCCCCC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4O3
InChI Key
CKEGKXSZJKGMMN-UHFFFAOYSA-N
Melting Point
173-175ºC(lit.)
Exact Mass
405.15800
H-Bond Acceptor
6
H-Bond Donor
0
Safety Description
22-24/25
WGK Germany
3
What is the molecular formula of 3-(2-Benzoxazolyl)umbelliferyl octanoate?
The molecular formula of 3-(2-Benzoxazolyl)umbelliferyl octanoate is C24H23NO5.
When was the structure of 3-(2-Benzoxazolyl)umbelliferyl octanoate created?
The structure was created on September 13, 2005.
What is the computed molecular weight of 3-(2-Benzoxazolyl)umbelliferyl octanoate?
The computed molecular weight is 405.4 g/mol.
What are some synonyms for 3-(2-Benzoxazolyl)umbelliferyl octanoate?
Some synonyms include 3-(2-Benzoxazolyl)-7-octanoyloxycoumarin, [3-(1,3-benzoxazol-2-yl)-2-oxochromen-7-yl] octanoate, and more.
What is the InChIKey of 3-(2-Benzoxazolyl)umbelliferyl octanoate?
The InChIKey is CKEGKXSZJKGMMN-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does 3-(2-Benzoxazolyl)umbelliferyl octanoate have?
It has 6 hydrogen bond acceptor counts.
What is the topological polar surface area of 3-(2-Benzoxazolyl)umbelliferyl octanoate?
The topological polar surface area is 78.6 square angstroms.
What is the XLogP3-AA value for 3-(2-Benzoxazolyl)umbelliferyl octanoate?
The XLogP3-AA value is 6.2.
How many rotatable bond counts does 3-(2-Benzoxazolyl)umbelliferyl octanoate have?
It has 9 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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