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78703-53-4 | 1,3-Dimethyl-1H-pyrazole-4-carboxylic acid
CAS No: 78703-53-4 Catalog No: AG00366T MDL No:MFCD00464005
Product Description
Catalog Number:
AG00366T
Chemical Name:
1,3-Dimethyl-1H-pyrazole-4-carboxylic acid
CAS Number:
78703-53-4
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD00464005
IUPAC Name:
1,3-dimethylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C6H8N2O2/c1-4-5(6(9)10)3-8(2)7-4/h3H,1-2H3,(H,9,10)
InChI Key:
YALJPBXSARRWTA-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1)C(=O)O)C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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