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27247-96-7 | 2-Ethylhexyl nitrate
CAS No: 27247-96-7 Catalog No: AG003H7V MDL No:MFCD00011582
Product Description
Catalog Number:
AG003H7V
Chemical Name:
2-Ethylhexyl nitrate
CAS Number:
27247-96-7
Molecular Formula:
C8H17NO3
Molecular Weight:
175.2255
MDL Number:
MFCD00011582
IUPAC Name:
2-ethylhexyl nitrate
InChI:
InChI=1S/C8H17NO3/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3
InChI Key:
NKRVGWFEFKCZAP-UHFFFAOYSA-N
SMILES:
CCCCC(CO[N+](=O)[O-])CC
EC Number:
248-363-6
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.121g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.228g/mol
Monoisotopic Mass:
175.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Proteomic investigation of enzymes involved in 2-ethylhexyl nitrate biodegradation in Mycobacterium austroafricanum IFP 2173. | Research in microbiology 20091201 |
| Biodegradability of 2-ethylhexyl nitrate (2-EHN), a cetane improver of diesel oil. | Biodegradation 20090201 |
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