Name: Name:5-Isoxazolecarboxylicacid,3-(1,1-dimethylethyl)-(9CI)
Brand: Angene
SKU: AG00AIIM
Rating: 90 (10 reviews)

5-Isoxazolecarboxylicacid,3-(1,1-dimethylethyl)-(9CI)

CAS No.:

133674-40-5

Catalog Number:

AG00AIIM

Molecular Formula:

C8H11NO3

Molecular Weight:

169.1778

Catalog Number:

AG00AIIM

Chemical Name:

5-Isoxazolecarboxylicacid,3-(1,1-dimethylethyl)-(9CI)

CAS Number:

133674-40-5

Molecular Formula:

C8H11NO3

Molecular Weight:

169.1778

MDL Number:

MFCD07701409

IUPAC Name:

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

InChI:

InChI=1S/C8H11NO3/c1-8(2,3)6-4-5(7(10)11)12-9-6/h4H,1-3H3,(H,10,11)

InChI Key:

SLQOTICTFRAFGX-UHFFFAOYSA-N

SMILES:

OC(=O)c1onc(c1)C(C)(C)C

Complexity:

185

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

169.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

169.18g/mol

Monoisotopic Mass:

169.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9