Home Carboxys 4-(Hydroxymethyl)-5-methylisoxazole-3-carboxylic acid

4-(Hydroxymethyl)-5-methylisoxazole-3-carboxylic acid

CAS No.:
1134333-99-5
Catalog Number:
AG008V6S
Molecular Formula:
C6H7NO4
Molecular Weight:
157.1241
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
- +
5g
95%
In Stock USA
United States
$671
- +
Product Description
Catalog Number:
AG008V6S
Chemical Name:
4-(Hydroxymethyl)-5-methylisoxazole-3-carboxylic acid
CAS Number:
1134333-99-5
Molecular Formula:
C6H7NO4
Molecular Weight:
157.1241
MDL Number:
MFCD12030889
IUPAC Name:
4-(hydroxymethyl)-5-methyl-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C6H7NO4/c1-3-4(2-8)5(6(9)10)7-11-3/h8H,2H2,1H3,(H,9,10)
InChI Key:
GQAVZNPQIZLWLC-UHFFFAOYSA-N
SMILES:
OCc1c(C)onc1C(=O)O
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.038g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
157.125g/mol
Monoisotopic Mass:
157.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties