3-Methylisoxazole-5-carboxylic acid
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Product Description
Product
3-Methylisoxazole-5-carboxylic acid
CAS
4857-42-5
Formula
C5H5NO3
Typical Product Specifications
Molecular weight
127.10
EINECS
225-454-9
SMILES
Cc1cc(no1)C(=O)O
InChI
BNMPIJWVMVNSRD-UHFFFAOYSA-N
InChIKey
1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)
pKa Dissociation Constant
2.2
Atmospheric OH Rate Constant
7.14E-12 cm3/molecule-sec
log P (octanol-water)
0.68
Water solubility
2.48E+04 mg/L
Henry's Law Constant
1.26E-09 atm-m3/mole
Vapor Pressure
0.015 mm Hg
Class
3-Methylisoxazole-5-carboxylic acid
Product Description
Product
3-Methylisoxazole-5-carboxylic acid
CAS
4857-42-5
Formula
C5H5NO3
Typical Product Specifications
Molecular weight
127.10
EINECS
225-454-9
SMILES
Cc1cc(no1)C(=O)O
InChI
BNMPIJWVMVNSRD-UHFFFAOYSA-N
InChIKey
1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)
pKa Dissociation Constant
2.2
Atmospheric OH Rate Constant
7.14E-12 cm3/molecule-sec
log P (octanol-water)
0.68
Water solubility
2.48E+04 mg/L
Henry's Law Constant
1.26E-09 atm-m3/mole
Vapor Pressure
0.015 mm Hg
Class
