Home Carboxys 1-(cyclohexylmethyl)-1H-pyrazole-4-carboxylic acid

1-(cyclohexylmethyl)-1H-pyrazole-4-carboxylic acid

CAS No.:
1154881-80-7
Catalog Number:
AG01B6JQ
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
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Product Description
Catalog Number:
AG01B6JQ
Chemical Name:
1-(cyclohexylmethyl)-1H-pyrazole-4-carboxylic acid
CAS Number:
1154881-80-7
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD12139638
IUPAC Name:
1-(cyclohexylmethyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H16N2O2/c14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,14,15)
InChI Key:
BUIWTAWFCROXRE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1)CC1CCCCC1
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.121g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.261g/mol
Monoisotopic Mass:
208.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties