Home Carboxys 1H-Pyrazole-3-carboxylic acid, 5-methoxy-

1H-Pyrazole-3-carboxylic acid, 5-methoxy-

CAS No.:
881693-06-7
Catalog Number:
AG00IEZV
Molecular Formula:
C5H6N2O3
Molecular Weight:
142.1127
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Product Description
Catalog Number:
AG00IEZV
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-methoxy-
CAS Number:
881693-06-7
Molecular Formula:
C5H6N2O3
Molecular Weight:
142.1127
MDL Number:
MFCD18711668
IUPAC Name:
3-methoxy-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C5H6N2O3/c1-10-4-2-3(5(8)9)6-7-4/h2H,1H3,(H,6,7)(H,8,9)
InChI Key:
AGPOKZYHRLRMCH-UHFFFAOYSA-N
SMILES:
COc1[nH]nc(c1)C(=O)O
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.038g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
142.114g/mol
Monoisotopic Mass:
142.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties