Home Carboxys 3-(furan-3-yl)-1H-pyrazole-5-carboxylic acid

3-(furan-3-yl)-1H-pyrazole-5-carboxylic acid

CAS No.:
2129110-26-3
Catalog Number:
AG01EK79
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
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Product Description
Catalog Number:
AG01EK79
Chemical Name:
3-(furan-3-yl)-1H-pyrazole-5-carboxylic acid
CAS Number:
2129110-26-3
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD11857813
IUPAC Name:
3-(furan-3-yl)-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C8H6N2O3/c11-8(12)7-3-6(9-10-7)5-1-2-13-4-5/h1-4H,(H,9,10)(H,11,12)
InChI Key:
QGSGAUUMYVXRLX-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]nc(c1)c1cocc1
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties