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Home > Nitro Compounds > 898053-56-0
898053-56-0 | ethyl 4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanoate
CAS No: 898053-56-0 Catalog No: AG00JE6Q MDL No:MFCD06167036
Product Description
Catalog Number:
AG00JE6Q
Chemical Name:
ethyl 4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanoate
CAS Number:
898053-56-0
Molecular Formula:
C10H15N3O4
Molecular Weight:
241.2438
MDL Number:
MFCD06167036
IUPAC Name:
ethyl 4-(5-methyl-3-nitropyrazol-1-yl)butanoate
InChI:
InChI=1S/C10H15N3O4/c1-3-17-10(14)5-4-6-12-8(2)7-9(11-12)13(15)16/h7H,3-6H2,1-2H3
InChI Key:
UJLLNFCICSHZTM-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCn1nc(cc1C)[N+](=O)[O-]
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.247g/mol
Monoisotopic Mass:
241.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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