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Home > Nitro Compounds > 22916-74-1
22916-74-1 | 2-Butanol, 3-aci-nitro-
CAS No: 22916-74-1 Catalog No: AG002LH0 MDL No:
Product Description
Catalog Number:
AG002LH0
Chemical Name:
2-Butanol, 3-aci-nitro-
CAS Number:
22916-74-1
Molecular Formula:
C4H9NO3
Molecular Weight:
119.1192
IUPAC Name:
N,3-dihydroxybutan-2-imine oxide
InChI:
InChI=1S/C4H9NO3/c1-3(4(2)6)5(7)8/h4,6H,1-2H3,(H,7,8)
InChI Key:
BMMXZASTBJBDSZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=C(C(O)C)C)O
Properties
Complexity:
110
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:
2
Isotope Atom Count:
0
Molecular Weight:
119.12g/mol
Monoisotopic Mass:
119.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.6
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