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Home > Nitro Compounds > 94839-36-8
94839-36-8 | Phosphonic acid, (1-nitroethyl)-, bis(1-methylethyl) ester
CAS No: 94839-36-8 Catalog No: AG005UDZ MDL No:
Product Description
Catalog Number:
AG005UDZ
Chemical Name:
Phosphonic acid, (1-nitroethyl)-, bis(1-methylethyl) ester
CAS Number:
94839-36-8
Molecular Formula:
C8H18NO5P
Molecular Weight:
239.2060
IUPAC Name:
2-[1-nitroethyl(propan-2-yloxy)phosphoryl]oxypropane
InChI:
InChI=1S/C8H18NO5P/c1-6(2)13-15(12,14-7(3)4)8(5)9(10)11/h6-8H,1-5H3
InChI Key:
WWZQDPOHVLLQPC-UHFFFAOYSA-N
SMILES:
CC(P(=O)(OC(C)C)OC(C)C)[N+](=O)[O-]
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.208g/mol
Monoisotopic Mass:
239.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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