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Home > Nitro Compounds > 1006950-52-2
1006950-52-2 | 2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethanol
CAS No: 1006950-52-2 Catalog No: AG00JEUR MDL No:MFCD06804927
Product Description
Catalog Number:
AG00JEUR
Chemical Name:
2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethanol
CAS Number:
1006950-52-2
Molecular Formula:
C6H9N3O4
Molecular Weight:
187.1534
MDL Number:
MFCD06804927
IUPAC Name:
2-(3-methoxy-4-nitropyrazol-1-yl)ethanol
InChI:
InChI=1S/C6H9N3O4/c1-13-6-5(9(11)12)4-8(7-6)2-3-10/h4,10H,2-3H2,1H3
InChI Key:
GUZXGCLQOGQIPB-UHFFFAOYSA-N
SMILES:
OCCn1nc(c(c1)[N+](=O)[O-])OC
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.155g/mol
Monoisotopic Mass:
187.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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