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1007500-10-8 | 3-(3-nitro-1H-pyrazol-1-yl)butanoic acid
CAS No: 1007500-10-8 Catalog No: AG01FK0B MDL No:
Product Description
Catalog Number:
AG01FK0B
Chemical Name:
3-(3-nitro-1H-pyrazol-1-yl)butanoic acid
CAS Number:
1007500-10-8
Molecular Formula:
C7H9N3O4
Molecular Weight:
199.1641
IUPAC Name:
3-(3-nitropyrazol-1-yl)butanoic acid
InChI:
InChI=1S/C7H9N3O4/c1-5(4-7(11)12)9-3-2-6(8-9)10(13)14/h2-3,5H,4H2,1H3,(H,11,12)
InChI Key:
DBIBFHYAZBGGKL-UHFFFAOYSA-N
SMILES:
OC(=O)CC(n1ccc(n1)[N+](=O)[O-])C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.166g/mol
Monoisotopic Mass:
199.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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