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Home > Nitro Compounds > 898053-29-7
898053-29-7 | ethyl 4-(3-nitro-1H-pyrazol-1-yl)butanoate
CAS No: 898053-29-7 Catalog No: AG00JG5T MDL No:MFCD06167024
Product Description
Catalog Number:
AG00JG5T
Chemical Name:
ethyl 4-(3-nitro-1H-pyrazol-1-yl)butanoate
CAS Number:
898053-29-7
Molecular Formula:
C9H13N3O4
Molecular Weight:
227.2172
MDL Number:
MFCD06167024
IUPAC Name:
ethyl 4-(3-nitropyrazol-1-yl)butanoate
InChI:
InChI=1S/C9H13N3O4/c1-2-16-9(13)4-3-6-11-7-5-8(10-11)12(14)15/h5,7H,2-4,6H2,1H3
InChI Key:
HFDGCSRUJBLEDO-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCn1ccc(n1)[N+](=O)[O-]
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.22g/mol
Monoisotopic Mass:
227.091g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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