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Home > Nitro Compounds > 80678-23-5
80678-23-5 | Nitrous acid, dodecyl ester
CAS No: 80678-23-5 Catalog No: AG00524F MDL No:
Product Description
Catalog Number:
AG00524F
Chemical Name:
Nitrous acid, dodecyl ester
CAS Number:
80678-23-5
Molecular Formula:
C12H25NO2
Molecular Weight:
215.3324
IUPAC Name:
dodecyl nitrite
InChI:
InChI=1S/C12H25NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14/h2-12H2,1H3
InChI Key:
GAKVGGDXTKVVSY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCON=O
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.189g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.337g/mol
Monoisotopic Mass:
215.189g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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