Home Carboxys 5-(Methoxycarbonyl)-1-methyl-1h-pyrazole-3-carboxylic acid

5-(Methoxycarbonyl)-1-methyl-1h-pyrazole-3-carboxylic acid

CAS No.:
117860-56-7
Catalog Number:
AG0081EH
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$509
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Product Description
Catalog Number:
AG0081EH
Chemical Name:
5-(Methoxycarbonyl)-1-methyl-1h-pyrazole-3-carboxylic acid
CAS Number:
117860-56-7
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
MDL Number:
MFCD04971102
IUPAC Name:
5-methoxycarbonyl-1-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C7H8N2O4/c1-9-5(7(12)13-2)3-4(8-9)6(10)11/h3H,1-2H3,(H,10,11)
InChI Key:
VMNNEPAQHIMLFM-UHFFFAOYSA-N
SMILES:
Cn1nc(cc1C(=O)OC)C(=O)O
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.151g/mol
Monoisotopic Mass:
184.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties