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Home > Nitro Compounds > 89367-74-8
89367-74-8 | 1-Butanol, 2,2-dinitro-
CAS No: 89367-74-8 Catalog No: AG003XKZ MDL No:
Product Description
Catalog Number:
AG003XKZ
Chemical Name:
1-Butanol, 2,2-dinitro-
CAS Number:
89367-74-8
Molecular Formula:
C4H8N2O5
Molecular Weight:
164.1167
IUPAC Name:
2,2-dinitrobutan-1-ol
InChI:
InChI=1S/C4H8N2O5/c1-2-4(3-7,5(8)9)6(10)11/h7H,2-3H2,1H3
InChI Key:
QPCIFDPWDVENAH-UHFFFAOYSA-N
SMILES:
CCC([N+](=O)[O-])([N+](=O)[O-])CO
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.117g/mol
Monoisotopic Mass:
164.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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