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26308-43-0 | 1H-Pyrazole-5-carboxylic acid, 1,3-diethyl-
CAS No: 26308-43-0 Catalog No: AG002SO0 MDL No:MFCD08689982
Product Description
Catalog Number:
AG002SO0
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1,3-diethyl-
CAS Number:
26308-43-0
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD08689982
IUPAC Name:
2,5-diethylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C8H12N2O2/c1-3-6-5-7(8(11)12)10(4-2)9-6/h5H,3-4H2,1-2H3,(H,11,12)
InChI Key:
RYNFWKBAUMOGOO-UHFFFAOYSA-N
SMILES:
CCc1cc(n(n1)CC)C(=O)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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