Home Nitros 1-Propanol,2-methyl-2-nitro-

1-Propanol,2-methyl-2-nitro-

CAS No.:
76-39-1
Catalog Number:
AG005CBZ
Molecular Formula:
C4H9NO3
Molecular Weight:
119.1192
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Product Description
Catalog Number:
AG005CBZ
Chemical Name:
1-Propanol,2-methyl-2-nitro-
CAS Number:
76-39-1
Molecular Formula:
C4H9NO3
Molecular Weight:
119.1192
MDL Number:
MFCD00007394
IUPAC Name:
2-methyl-2-nitropropan-1-ol
InChI:
InChI=1S/C4H9NO3/c1-4(2,3-6)5(7)8/h6H,3H2,1-2H3
InChI Key:
MVGJRISPEUZYAQ-UHFFFAOYSA-N
SMILES:
OCC([N+](=O)[O-])(C)C
EC Number:
200-957-6
UNII:
RGG97AOX42
NSC Number:
17676
Properties
Complexity:
93.9  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties