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Home > Nitro Compounds > 20570-70-1
20570-70-1 | 3-Pentanol, 2-methyl-4-nitro-
CAS No: 20570-70-1 Catalog No: AG002ABK MDL No:
Product Description
Catalog Number:
AG002ABK
Chemical Name:
3-Pentanol, 2-methyl-4-nitro-
CAS Number:
20570-70-1
Molecular Formula:
C6H13NO3
Molecular Weight:
147.1723
IUPAC Name:
2-methyl-4-nitropentan-3-ol
InChI:
InChI=1S/C6H13NO3/c1-4(2)6(8)5(3)7(9)10/h4-6,8H,1-3H3
InChI Key:
LOCQZPLNYZAZHO-UHFFFAOYSA-N
SMILES:
CC(C(C([N+](=O)[O-])C)O)C
Properties
Complexity:
119
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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