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Home > Nitro Compounds > 22916-76-3
22916-76-3 | 2-Butanol, 2-methyl-1-nitro-
CAS No: 22916-76-3 Catalog No: AG002LGZ MDL No:
Product Description
Catalog Number:
AG002LGZ
Chemical Name:
2-Butanol, 2-methyl-1-nitro-
CAS Number:
22916-76-3
Molecular Formula:
C5H11NO3
Molecular Weight:
133.1457
IUPAC Name:
2-methyl-1-nitrobutan-2-ol
InChI:
InChI=1S/C5H11NO3/c1-3-5(2,7)4-6(8)9/h7H,3-4H2,1-2H3
InChI Key:
BFXVQEIWGOVPRX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(CC)(O)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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