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Home > Nitro Compounds > 101623-70-5
101623-70-5 | Carbonic acid, (acetyloxy)methyl 4-nitrophenyl ester
CAS No: 101623-70-5 Catalog No: AG000509 MDL No:
Product Description
Catalog Number:
AG000509
Chemical Name:
Carbonic acid, (acetyloxy)methyl 4-nitrophenyl ester
CAS Number:
101623-70-5
Molecular Formula:
C10H9NO7
Molecular Weight:
255.1810
IUPAC Name:
(4-nitrophenoxy)carbonyloxymethyl acetate
InChI:
InChI=1S/C10H9NO7/c1-7(12)16-6-17-10(13)18-9-4-2-8(3-5-9)11(14)15/h2-5H,6H2,1H3
InChI Key:
BFKLBUHJBIEJDG-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc(cc1)[N+](=O)[O-])OCOC(=O)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.182g/mol
Monoisotopic Mass:
255.038g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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