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Home > Nitro Compounds > 898053-45-7
898053-45-7 | 4-(4-NITRO-PYRAZOL-1-YL)-BUTYRIC ACID
CAS No: 898053-45-7 Catalog No: AG00GSTC MDL No:MFCD03410242
Product Description
Catalog Number:
AG00GSTC
Chemical Name:
4-(4-NITRO-PYRAZOL-1-YL)-BUTYRIC ACID
CAS Number:
898053-45-7
Molecular Formula:
C7H9N3O4
Molecular Weight:
199.1641
MDL Number:
MFCD03410242
IUPAC Name:
4-(4-nitropyrazol-1-yl)butanoic acid
InChI:
InChI=1S/C7H9N3O4/c11-7(12)2-1-3-9-5-6(4-8-9)10(13)14/h4-5H,1-3H2,(H,11,12)
InChI Key:
DIVZBTHOMHFWMN-UHFFFAOYSA-N
SMILES:
OC(=O)CCCn1ncc(c1)[N+](=O)[O-]
Properties
Complexity:
228
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:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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