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Home > Nitro Compounds > 20133-64-6
20133-64-6 | 2-Furoic acid, anhydride with cyclic 2-ethyl-2-nitrotrimethylene phosphate (8CI)
CAS No: 20133-64-6 Catalog No: AG002DCR MDL No:
Product Description
Catalog Number:
AG002DCR
Chemical Name:
2-Furoic acid, anhydride with cyclic 2-ethyl-2-nitrotrimethylene phosphate (8CI)
CAS Number:
20133-64-6
Molecular Formula:
C10H12NO8P
Molecular Weight:
305.1779
IUPAC Name:
(5-ethyl-5-nitro-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl) furan-2-carboxylate
InChI:
InChI=1S/C10H12NO8P/c1-2-10(11(13)14)6-17-20(15,18-7-10)19-9(12)8-4-3-5-16-8/h3-5H,2,6-7H2,1H3
InChI Key:
CJJAQNAMHHBUEB-UHFFFAOYSA-N
SMILES:
CCC1(COP(=O)(OC1)OC(=O)c1ccco1)[N+](=O)[O-]
NSC Number:
110705
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.03g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.179g/mol
Monoisotopic Mass:
305.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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