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861383-10-0 | 1H-Pyrazole-1-carboxylicacid, 4,5-dihydro-3,4-dimethyl-5-oxo-
CAS No: 861383-10-0 Catalog No: AG004KWO MDL No:
Product Description
Catalog Number:
AG004KWO
Chemical Name:
1H-Pyrazole-1-carboxylicacid, 4,5-dihydro-3,4-dimethyl-5-oxo-
CAS Number:
861383-10-0
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
IUPAC Name:
3,4-dimethyl-5-oxo-4H-pyrazole-1-carboxylic acid
InChI:
InChI=1S/C6H8N2O3/c1-3-4(2)7-8(5(3)9)6(10)11/h3H,1-2H3,(H,10,11)
InChI Key:
LBHPLQYVCHJLJY-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C1C)C(=O)O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.141g/mol
Monoisotopic Mass:
156.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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