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Home > Nitro Compounds > 82891-99-4
82891-99-4 | 2-(2-Nitroethyl)[1,3]dioxolane
CAS No: 82891-99-4 Catalog No: AG004S8L MDL No:MFCD00040621
Product Description
Catalog Number:
AG004S8L
Chemical Name:
2-(2-Nitroethyl)[1,3]dioxolane
CAS Number:
82891-99-4
Molecular Formula:
C5H9NO4
Molecular Weight:
147.1293
MDL Number:
MFCD00040621
IUPAC Name:
2-(2-nitroethyl)-1,3-dioxolane
InChI:
InChI=1S/C5H9NO4/c7-6(8)2-1-5-9-3-4-10-5/h5H,1-4H2
InChI Key:
ZYXOSRQIZOOVTN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CCC1OCCO1
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.13g/mol
Monoisotopic Mass:
147.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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