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Home > Nitro Compounds > 3156-74-9
3156-74-9 | 1-nitrobutan-2-ol
CAS No: 3156-74-9 Catalog No: AG01C9AQ MDL No:MFCD00052670
Product Description
Catalog Number:
AG01C9AQ
Chemical Name:
1-nitrobutan-2-ol
CAS Number:
3156-74-9
Molecular Formula:
C4H9NO3
Molecular Weight:
119.1192
MDL Number:
MFCD00052670
IUPAC Name:
1-nitrobutan-2-ol
InChI:
InChI=1S/C4H9NO3/c1-2-4(6)3-5(7)8/h4,6H,2-3H2,1H3
InChI Key:
FMEFHKJRIGHSLB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(CC)O
NSC Number:
17678
Properties
Complexity:
77.8
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:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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