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Home > Nitro Compounds > 89753-86-6
89753-86-6 | Ethanethioic acid, [[[(4-nitrophenyl)methoxy]carbonyl]oxy]-
CAS No: 89753-86-6 Catalog No: AG0040ZE MDL No:
Product Description
Catalog Number:
AG0040ZE
Chemical Name:
Ethanethioic acid, [[[(4-nitrophenyl)methoxy]carbonyl]oxy]-
CAS Number:
89753-86-6
Molecular Formula:
C10H9NO6S
Molecular Weight:
271.2466
IUPAC Name:
2-[(4-nitrophenyl)methoxycarbonyloxy]ethanethioic S-acid
InChI:
InChI=1S/C10H9NO6S/c12-9(18)6-17-10(13)16-5-7-1-3-8(4-2-7)11(14)15/h1-4H,5-6H2,(H,12,18)
InChI Key:
DEZBBPJAOPLLBJ-UHFFFAOYSA-N
SMILES:
O=C(OCC(=S)O)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.015g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.243g/mol
Monoisotopic Mass:
271.015g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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