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Home > Nitro Compounds > 5638-92-6
5638-92-6 | 2-Nitro-2-propyl-1,3-propanediol
CAS No: 5638-92-6 Catalog No: AG00EZLO MDL No:
Product Description
Catalog Number:
AG00EZLO
Chemical Name:
2-Nitro-2-propyl-1,3-propanediol
CAS Number:
5638-92-6
IUPAC Name:
2-nitro-2-propylpropane-1,3-diol
InChI:
InChI=1S/C6H13NO4/c1-2-3-6(4-8,5-9)7(10)11/h8-9H,2-5H2,1H3
InChI Key:
OMILNLGCVJMNIV-UHFFFAOYSA-N
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.173g/mol
Monoisotopic Mass:
163.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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