CAS
914220-28-3 Purity
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914220-28-3 Purity
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5-(4-tert-Butylphenyl)-oxazole-4-carboxylic acid
CAS
914220-36-3
Catalog Number
ACM914220363
Category
Other Products
Molecular Weight
245.2738
Molecular Formula
C14H15NO3
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Specification
Synonyms
5-(4-TERTBUTYLPHENYL)-1,3-OXAZOLE-4-CARBOXYLIC ACID;5-(4-TERT-BUTYLPHENYL)-OXAZOLE-4-CARBOXYLIC ACID
IUPAC Name
5-(4-tert-butylphenyl)-1,3-oxazole-4-carboxylic acid
Canonical SMILES
CC(C)(C)C1=CC=C(C=C1)C2=C(N=CO2)C(=O)O
InChI Key
VBLAQWXWUARXGP-UHFFFAOYSA-N
Exact Mass
245.10500
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 5-(4-tert-butylphenyl)-oxazole-4-carboxylic acid?
The molecular formula is C14H15NO3.
What are some synonyms for 5-(4-tert-butylphenyl)-oxazole-4-carboxylic acid?
Some synonyms include DTXSID10652211, AKOS010901135, 914220-36-3, and 5-(4-tert-butylphenyl)-1,3-oxazole-4-carboxylic acid.
When was 5-(4-tert-butylphenyl)-oxazole-4-carboxylic acid first created?
It was first created on May 28, 2009.
What is the molecular weight of 5-(4-tert-butylphenyl)-oxazole-4-carboxylic acid?
The molecular weight is 245.27 g/mol.
What is the Canonical SMILES representation of 5-(4-tert-butylphenyl)-oxazole-4-carboxylic acid?
CC(C)(C)C1=CC=C(C=C1)C2=C(N=CO2)C(=O)O.
What is the InChIKey of 5-(4-tert-butylphenyl)-oxazole-4-carboxylic acid?
The InChIKey is VBLAQWXWUARXGP-UHFFFAOYSA-N.
What is the XLogP3-AA value of 5-(4-tert-butylphenyl)-oxazole-4-carboxylic acid?
The XLogP3-AA value is 3.5.
How many hydrogen bond donor counts does 5-(4-tert-butylphenyl)-oxazole-4-carboxylic acid have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of 5-(4-tert-butylphenyl)-oxazole-4-carboxylic acid?
The topological polar surface area is 63.3 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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