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Home > Nitro Compounds > 77392-55-3
77392-55-3 | 1-Butanol, 2-methyl-2-nitro-
CAS No: 77392-55-3 Catalog No: AG0053SM MDL No:
Product Description
Catalog Number:
AG0053SM
Chemical Name:
1-Butanol, 2-methyl-2-nitro-
CAS Number:
77392-55-3
Molecular Formula:
C5H11NO3
Molecular Weight:
133.1457
IUPAC Name:
2-methyl-2-nitrobutan-1-ol
InChI:
InChI=1S/C5H11NO3/c1-3-5(2,4-7)6(8)9/h7H,3-4H2,1-2H3
InChI Key:
SEAMRWZKMYUKOI-UHFFFAOYSA-N
SMILES:
CCC([N+](=O)[O-])(CO)C
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.074g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
133.147g/mol
Monoisotopic Mass:
133.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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