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

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

CAS No.:
1103427-25-3
Catalog Number:
AG01B6JJ
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
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Product Description
Catalog Number:
AG01B6JJ
Chemical Name:
1-(cyclopropylmethyl)-1H-pyrazole-4-carboxylic acid
CAS Number:
1103427-25-3
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD19611392
IUPAC Name:
1-(cyclopropylmethyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C8H10N2O2/c11-8(12)7-3-9-10(5-7)4-6-1-2-6/h3,5-6H,1-2,4H2,(H,11,12)
InChI Key:
CBBXSDWRLKFMCW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1)CC1CC1
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties