sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 3,5-dimethyl-1-(oxan-2-yl)-1H-pyrazole-4-carboxylic acid

3,5-dimethyl-1-(oxan-2-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:
1823269-38-0
Catalog Number:
AG01C160
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01C160
Chemical Name:
3,5-dimethyl-1-(oxan-2-yl)-1H-pyrazole-4-carboxylic acid
CAS Number:
1823269-38-0
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
MDL Number:
MFCD26518533
IUPAC Name:
3,5-dimethyl-1-(oxan-2-yl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H16N2O3/c1-7-10(11(14)15)8(2)13(12-7)9-5-3-4-6-16-9/h9H,3-6H2,1-2H3,(H,14,15)
InChI Key:
USWARDWJLFRKLM-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)nn(c1C)C1CCCCO1
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.116g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.26g/mol
Monoisotopic Mass:
224.116g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties