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Home > Nitro Compounds > 6270-16-2
6270-16-2 | 3-NITRO-2-BUTANOL
CAS No: 6270-16-2 Catalog No: AG003JSJ MDL No:
Product Description
Catalog Number:
AG003JSJ
Chemical Name:
3-NITRO-2-BUTANOL
CAS Number:
6270-16-2
IUPAC Name:
3-nitrobutan-2-ol
InChI:
InChI=1S/C4H9NO3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3
InChI Key:
OJVOGABFNZDOOZ-UHFFFAOYSA-N
EC Number:
228-447-9
Properties
Complexity:
87.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.058g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
119.12g/mol
Monoisotopic Mass:
119.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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