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Home > Nitro Compounds > 799812-09-2
799812-09-2 | 2-BUTANOL, 2,3-DIMETHYL-4-NITRO-, (3R)-
CAS No: 799812-09-2 Catalog No: AG005EU1 MDL No:
Product Description
Catalog Number:
AG005EU1
Chemical Name:
2-BUTANOL, 2,3-DIMETHYL-4-NITRO-, (3R)-
CAS Number:
799812-09-2
Molecular Formula:
C6H13NO3
Molecular Weight:
147.1723
IUPAC Name:
(3R)-2,3-dimethyl-4-nitrobutan-2-ol
InChI:
InChI=1S/C6H13NO3/c1-5(4-7(9)10)6(2,3)8/h5,8H,4H2,1-3H3/t5-/m1/s1
InChI Key:
PONVAVWGJGPMPF-RXMQYKEDSA-N
SMILES:
C[C@@H](C(O)(C)C)C[N+](=O)[O-]
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
147.09g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.174g/mol
Monoisotopic Mass:
147.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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