Home Carboxys 3-Cyclopropyl-1-ethyl-1H-pyrazole-4-carboxylicacid

3-Cyclopropyl-1-ethyl-1H-pyrazole-4-carboxylicacid

CAS No.:
1006446-33-8
Catalog Number:
AG009105
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG009105
Chemical Name:
3-Cyclopropyl-1-ethyl-1H-pyrazole-4-carboxylicacid
CAS Number:
1006446-33-8
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD04970942
IUPAC Name:
3-cyclopropyl-1-ethylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C9H12N2O2/c1-2-11-5-7(9(12)13)8(10-11)6-3-4-6/h5-6H,2-4H2,1H3,(H,12,13)
InChI Key:
IKMAFDSYDTXWHQ-UHFFFAOYSA-N
SMILES:
CCn1nc(c(c1)C(=O)O)C1CC1
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties