5-tert-Butyl-3-isoxazolecarboxylic acid

CAS

90607-21-9

Catalog Number

ACM90607219

Category

Other Products

Molecular Weight

169.18

Molecular Formula

C₈H₁₁NO₃

MSDS COA Spec Sheet

If you have any other questions or need other size, please get a quote.

Specification

Synonyms

5-tert-butylisoxazole-3-carboxylic acid, 90607-21-9, 5-tert-butyl-3-isoxazolecarboxylic acid, 5-(tert-butyl)isoxazole-3-carboxylic acid, 5-tert-butyl-1,2-oxazole-3-carboxylic acid, 5-TERT-BUTYL-ISOXAZOLE-3-CARBOXYLIC ACID, AGN-PC-01GB5H, SureCN1809204, ARONIS23805, CTK3I5911, MolPort-000-148-846, ACT00779, ANW-50787, BBL021334, SBB076516, STK894045, AKOS005111153, MCULE-3189005736, RP23152, AK-28453

IUPAC Name

5-tert-butyl-1,2-oxazole-3-carboxylic acid

Canonical SMILES

CC(C)(C)C1=CC(=NO1)C(=O)O

InChI Key

GBFOGDDBEDQGJW-UHFFFAOYSA-N

Boiling Point

303.46ºC at 760 mmHg

Flash Point

137.328ºC

Density

1.169g/cm³

Exact Mass

169.07400

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 5-tert-Butyl-3-isoxazolecarboxylic acid?

The molecular formula of 5-tert-Butyl-3-isoxazolecarboxylic acid is C8H11NO3.

What is the molecular weight of 5-tert-Butyl-3-isoxazolecarboxylic acid?

The molecular weight of 5-tert-Butyl-3-isoxazolecarboxylic acid is 169.18 g/mol.

What are some synonyms for 5-tert-Butyl-3-isoxazolecarboxylic acid?

Some synonyms for 5-tert-Butyl-3-isoxazolecarboxylic acid include 5-(tert-butyl)isoxazole-3-carboxylic acid and 5-tert-butylisoxazole-3-carboxylic acid.

What is the InChIKey for 5-tert-Butyl-3-isoxazolecarboxylic acid?

The InChIKey for 5-tert-Butyl-3-isoxazolecarboxylic acid is GBFOGDDBEDQGJW-UHFFFAOYSA-N.

What is the XLogP3 value for 5-tert-Butyl-3-isoxazolecarboxylic acid?

The XLogP3 value for 5-tert-Butyl-3-isoxazolecarboxylic acid is 2.

How many hydrogen bond donor counts are there in 5-tert-Butyl-3-isoxazolecarboxylic acid?

There is 1 hydrogen bond donor count in 5-tert-Butyl-3-isoxazolecarboxylic acid.

What is the topological polar surface area of 5-tert-Butyl-3-isoxazolecarboxylic acid?

The topological polar surface area of 5-tert-Butyl-3-isoxazolecarboxylic acid is 63.3 Å².

Is 5-tert-Butyl-3-isoxazolecarboxylic acid a canonicalized compound?

Yes, 5-tert-Butyl-3-isoxazolecarboxylic acid is a canonicalized compound.

How many rotatable bond counts are there in 5-tert-Butyl-3-isoxazolecarboxylic acid?

There are 2 rotatable bond counts in 5-tert-Butyl-3-isoxazolecarboxylic acid.

What is the complexity value of 5-tert-Butyl-3-isoxazolecarboxylic acid?

The complexity value of 5-tert-Butyl-3-isoxazolecarboxylic acid is 185.