Home Carboxys 1-(cyclobutylmethyl)-1H-pyrazole-5-carboxylic acid

1-(cyclobutylmethyl)-1H-pyrazole-5-carboxylic acid

CAS No.:
1496584-13-4
Catalog Number:
AG01C0KI
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
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Product Description
Catalog Number:
AG01C0KI
Chemical Name:
1-(cyclobutylmethyl)-1H-pyrazole-5-carboxylic acid
CAS Number:
1496584-13-4
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD21240280
IUPAC Name:
2-(cyclobutylmethyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C9H12N2O2/c12-9(13)8-4-5-10-11(8)6-7-2-1-3-7/h4-5,7H,1-3,6H2,(H,12,13)
InChI Key:
BFRDIMSIOAGUSO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnn1CC1CCC1
Properties
Complexity:
204  
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:
1.3  
Properties