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Home > Nitro Compounds > 821005-87-2
821005-87-2 | Oxonium, [methoxy(4-nitrophenyl)methylene]methyl-
CAS No: 821005-87-2 Catalog No: AG004WIN MDL No:
Product Description
Catalog Number:
AG004WIN
Chemical Name:
Oxonium, [methoxy(4-nitrophenyl)methylene]methyl-
CAS Number:
821005-87-2
Molecular Formula:
C9H10NO4+
Molecular Weight:
196.1800
IUPAC Name:
[2-methoxy-2-(4-nitrophenyl)ethenyl]oxidanium
InChI:
InChI=1S/C9H9NO4/c1-14-9(6-11)7-2-4-8(5-3-7)10(12)13/h2-6,11H,1H3/p+1
InChI Key:
WEDSBLNLXRWXME-UHFFFAOYSA-O
SMILES:
COC(=C[OH2+])c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.061g/mol
Formal Charge:
1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.182g/mol
Monoisotopic Mass:
196.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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