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Home > Nitro Compounds > 1653-42-5
1653-42-5 | Nitrous acid, 2-ethylhexyl ester
CAS No: 1653-42-5 Catalog No: AG001W2F MDL No:
Product Description
Catalog Number:
AG001W2F
Chemical Name:
Nitrous acid, 2-ethylhexyl ester
CAS Number:
1653-42-5
Molecular Formula:
C8H17NO2
Molecular Weight:
159.2261
IUPAC Name:
2-ethylhexyl nitrite
InChI:
InChI=1S/C8H17NO2/c1-3-5-6-8(4-2)7-11-9-10/h8H,3-7H2,1-2H3
InChI Key:
DAQIQPHKWNXNKB-UHFFFAOYSA-N
SMILES:
CCCCC(CON=O)CC
EC Number:
216-727-3
Properties
Complexity:
96.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.126g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.229g/mol
Monoisotopic Mass:
159.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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