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Home > Nitro Compounds > 101623-68-1
101623-68-1 | Carbonic acid, 1-(acetyloxy)ethyl 4-nitrophenyl ester
CAS No: 101623-68-1 Catalog No: AG00050B MDL No:
Product Description
Catalog Number:
AG00050B
Chemical Name:
Carbonic acid, 1-(acetyloxy)ethyl 4-nitrophenyl ester
CAS Number:
101623-68-1
Molecular Formula:
C11H11NO7
Molecular Weight:
269.2075
IUPAC Name:
1-(4-nitrophenoxy)carbonyloxyethyl acetate
InChI:
InChI=1S/C11H11NO7/c1-7(13)17-8(2)18-11(14)19-10-5-3-9(4-6-10)12(15)16/h3-6,8H,1-2H3
InChI Key:
LUJRIWGEPQDLNV-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc(cc1)[N+](=O)[O-])OC(OC(=O)C)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.054g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.209g/mol
Monoisotopic Mass:
269.054g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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