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26308-44-1 | 1H-Pyrazole-5-carboxylic acid, 1,3-diethyl-4-nitro-
CAS No: 26308-44-1 Catalog No: AG002SNZ MDL No:
Product Description
Catalog Number:
AG002SNZ
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1,3-diethyl-4-nitro-
CAS Number:
26308-44-1
Molecular Formula:
C8H11N3O4
Molecular Weight:
213.1906
IUPAC Name:
2,5-diethyl-4-nitropyrazole-3-carboxylic acid
InChI:
InChI=1S/C8H11N3O4/c1-3-5-6(11(14)15)7(8(12)13)10(4-2)9-5/h3-4H2,1-2H3,(H,12,13)
InChI Key:
CYRXJCKKLRXCIT-UHFFFAOYSA-N
SMILES:
CCc1nn(c(c1[N+](=O)[O-])C(=O)O)CC
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.193g/mol
Monoisotopic Mass:
213.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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