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Home > Nitro Compounds > 671198-31-5
671198-31-5 | 3-Butyn-2-ol, 2-methyl-4-(nitro-2-pyridinyl)-
CAS No: 671198-31-5 Catalog No: AG005R4J MDL No:
Product Description
Catalog Number:
AG005R4J
Chemical Name:
3-Butyn-2-ol, 2-methyl-4-(nitro-2-pyridinyl)-
CAS Number:
671198-31-5
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
IUPAC Name:
2-methyl-4-(3-nitropyridin-2-yl)but-3-yn-2-ol
InChI:
InChI=1S/C10H10N2O3/c1-10(2,13)6-5-8-9(12(14)15)4-3-7-11-8/h3-4,7,13H,1-2H3
InChI Key:
OOXSDYATOCTTKA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccnc1C#CC(O)(C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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