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Home > Nitro Compounds > 164740-58-3
164740-58-3 | Nitrous acid, sec-hexyl ester (9CI)
CAS No: 164740-58-3 Catalog No: AG001V30 MDL No:
Product Description
Catalog Number:
AG001V30
Chemical Name:
Nitrous acid, sec-hexyl ester (9CI)
CAS Number:
164740-58-3
Molecular Formula:
C6H13NO2
Molecular Weight:
131.1729
IUPAC Name:
hexan-2-yl nitrite
InChI:
InChI=1S/C6H13NO2/c1-3-4-5-6(2)9-7-8/h6H,3-5H2,1-2H3
InChI Key:
BLSYABVPNVNZFX-UHFFFAOYSA-N
SMILES:
CC(ON=O)CCCC
Properties
Complexity:
75.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.095g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.175g/mol
Monoisotopic Mass:
131.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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