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Home > Nitro Compounds > 20570-67-6
20570-67-6 | 3-Pentanol, 2-methyl-2-nitro-
CAS No: 20570-67-6 Catalog No: AG002ABM MDL No:
Product Description
Catalog Number:
AG002ABM
Chemical Name:
3-Pentanol, 2-methyl-2-nitro-
CAS Number:
20570-67-6
Molecular Formula:
C6H13NO3
Molecular Weight:
147.1723
IUPAC Name:
2-methyl-2-nitropentan-3-ol
InChI:
InChI=1S/C6H13NO3/c1-4-5(8)6(2,3)7(9)10/h5,8H,4H2,1-3H3
InChI Key:
XGIVOZBEDLLCCO-UHFFFAOYSA-N
SMILES:
CCC(C([N+](=O)[O-])(C)C)O
NSC Number:
17688
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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