Home Carboxys 5-formyl-1-methyl-1H-pyrazole-4-carboxylic acid

5-formyl-1-methyl-1H-pyrazole-4-carboxylic acid

CAS No.:
1368337-66-9
Catalog Number:
AG01AN25
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
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Product Description
Catalog Number:
AG01AN25
Chemical Name:
5-formyl-1-methyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1368337-66-9
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
MDL Number:
MFCD22069926
IUPAC Name:
5-formyl-1-methylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C6H6N2O3/c1-8-5(3-9)4(2-7-8)6(10)11/h2-3H,1H3,(H,10,11)
InChI Key:
QWELNTQUYLGXCZ-UHFFFAOYSA-N
SMILES:
O=Cc1n(C)ncc1C(=O)O
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.038g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
154.125g/mol
Monoisotopic Mass:
154.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties