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Home > Nitro Compounds > 98082-25-8
98082-25-8 | 2-Propanone, 1-[2-methoxy-5-[2-(nitrooxy)ethoxy]phenyl]-
CAS No: 98082-25-8 Catalog No: AG00H5T6 MDL No:
Product Description
Catalog Number:
AG00H5T6
Chemical Name:
2-Propanone, 1-[2-methoxy-5-[2-(nitrooxy)ethoxy]phenyl]-
CAS Number:
98082-25-8
Molecular Formula:
C12H15NO6
Molecular Weight:
269.2506
IUPAC Name:
2-[4-methoxy-3-(2-oxopropyl)phenoxy]ethyl nitrate
InChI:
InChI=1S/C12H15NO6/c1-9(14)7-10-8-11(3-4-12(10)17-2)18-5-6-19-13(15)16/h3-4,8H,5-7H2,1-2H3
InChI Key:
SLAUEGNTSHNESZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CC(=O)C)OCCO[N+](=O)[O-]
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.253g/mol
Monoisotopic Mass:
269.09g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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