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1396774-60-9 | Methyl 1-methyl-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate
CAS No: 1396774-60-9 Catalog No: AG01FN6K MDL No:MFCD22588081
Product Description
Catalog Number:
AG01FN6K
Chemical Name:
Methyl 1-methyl-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate
CAS Number:
1396774-60-9
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
MDL Number:
MFCD22588081
IUPAC Name:
methyl 1-methyl-5-oxo-4H-pyrazole-3-carboxylate
InChI:
InChI=1S/C6H8N2O3/c1-8-5(9)3-4(7-8)6(10)11-2/h3H2,1-2H3
InChI Key:
WANMFNLIGZQKRD-UHFFFAOYSA-N
SMILES:
COC(=O)C1=NN(C(=O)C1)C
Properties
Complexity:
234
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:
0
Isotope Atom Count:
0
Molecular Weight:
156.141g/mol
Monoisotopic Mass:
156.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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