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Home > Nitro Compounds > 82721-42-4
82721-42-4 | 1-Propanone, 1-[4-(2-hydroxyethoxy)phenyl]-2-(nitrooxy)-
CAS No: 82721-42-4 Catalog No: AG0059TN MDL No:
Product Description
Catalog Number:
AG0059TN
Chemical Name:
1-Propanone, 1-[4-(2-hydroxyethoxy)phenyl]-2-(nitrooxy)-
CAS Number:
82721-42-4
Molecular Formula:
C11H13NO6
Molecular Weight:
255.2240
IUPAC Name:
[1-[4-(2-hydroxyethoxy)phenyl]-1-oxopropan-2-yl] nitrate
InChI:
InChI=1S/C11H13NO6/c1-8(18-12(15)16)11(14)9-2-4-10(5-3-9)17-7-6-13/h2-5,8,13H,6-7H2,1H3
InChI Key:
LEFALUKSYPPWMP-UHFFFAOYSA-N
SMILES:
OCCOc1ccc(cc1)C(=O)C(O[N+](=O)[O-])C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.226g/mol
Monoisotopic Mass:
255.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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