CAS
908244-43-9 Purity
96%
908244-43-9 Purity
96%
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3,5-Dimethyl-4,5-dihydro-5-isoxazolecarboxylic acid
CAS
908248-87-3
Catalog Number
ACM908248873
Category
Other Products
Molecular Weight
143.14
Molecular Formula
C6H9NO3
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Specification
Synonyms
SBB050123, 3,5-dimethyl-4,5-dihydroisoxazole-5-carboxylic acid, 3,5-DIMETHYL-4,5-DIHYDRO-ISOXAZOLE-5-CARBOXYLIC ACID, 908248-87-3, SureCN2980995, AGN-PC-0030DF, CTK5G8483, MolPort-004-962-455, ALBB-009867, STK506113, AKOS000301644, AG-H-72708, MCULE-3285798426, BB 0263192, ST45054892, EN300-92438, 3,5-dimethyl-4H-1,2-oxazole-5-carboxylic acid, (5S)-3,5-dimethyl-4H-1,2-oxazole-5-carboxylic acid, 3,5-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid, 3,5-DIMETHYL-4,5-DIHYDRO-5-ISOXAZOLECARBOXYLIC ACID
IUPAC Name
3,5-dimethyl-4H-1,2-oxazole-5-carboxylic acid
Canonical SMILES
CC1=NOC(C1)(C)C(=O)O
InChI Key
SKHXMZPMVWJQQE-UHFFFAOYSA-N
Boiling Point
255.4ºC at 760 mmHg
Flash Point
108.3ºC
Density
1.3g/cm³
Exact Mass
143.05800
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 3,5-Dimethyl-4,5-dihydro-5-isoxazolecarboxylic acid?
The molecular formula is C6H9NO3.
When was the PubChem CID for 3,5-Dimethyl-4,5-dihydro-5-isoxazolecarboxylic acid created?
It was created on 2009-04-14.
What is the IUPAC name of 3,5-Dimethyl-4,5-dihydro-5-isoxazolecarboxylic acid?
The IUPAC name is 3,5-dimethyl-4H-1,2-oxazole-5-carboxylic acid.
What is the Canonical SMILES of 3,5-Dimethyl-4,5-dihydro-5-isoxazolecarboxylic acid?
The Canonical SMILES is CC1=NOC(C1)(C)C(=O)O.
What is the molecular weight of 3,5-Dimethyl-4,5-dihydro-5-isoxazolecarboxylic acid?
The molecular weight is 143.14 g/mol.
How many hydrogen bond donor counts are there in the structure of 3,5-Dimethyl-4,5-dihydro-5-isoxazolecarboxylic acid?
There is 1 hydrogen bond donor count.
What is the exact mass of 3,5-Dimethyl-4,5-dihydro-5-isoxazolecarboxylic acid?
The exact mass is 143.058243149 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the topological polar surface area of 3,5-Dimethyl-4,5-dihydro-5-isoxazolecarboxylic acid?
The topological polar surface area is 58.9 Ų.
How many rotatable bond counts are there in the structure of 3,5-Dimethyl-4,5-dihydro-5-isoxazolecarboxylic acid?
There is 1 rotatable bond count.
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