Home Carboxys 1H-Pyrazole-3-carboxylicacid, 5-formyl-1-methyl-

1H-Pyrazole-3-carboxylicacid, 5-formyl-1-methyl-

CAS No.:
221323-55-3
Catalog Number:
AG00703E
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
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Product Description
Catalog Number:
AG00703E
Chemical Name:
1H-Pyrazole-3-carboxylicacid, 5-formyl-1-methyl-
CAS Number:
221323-55-3
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
IUPAC Name:
5-formyl-1-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C6H6N2O3/c1-8-4(3-9)2-5(7-8)6(10)11/h2-3H,1H3,(H,10,11)
InChI Key:
ODPLFSCTCVMBMZ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(nn1C)C(=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:
-0.1  
Properties