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113694-61-4 | Benzoic acid, 4-(carboxymethoxy)-5-methoxy-2-nitroso-
CAS No: 113694-61-4 Catalog No: AG0009CG MDL No:
Product Description
Catalog Number:
AG0009CG
Chemical Name:
Benzoic acid, 4-(carboxymethoxy)-5-methoxy-2-nitroso-
CAS Number:
113694-61-4
Molecular Formula:
C10H9NO7
Molecular Weight:
255.1810
IUPAC Name:
4-(carboxymethoxy)-5-methoxy-2-nitrosobenzoic acid
InChI:
InChI=1S/C10H9NO7/c1-17-7-2-5(10(14)15)6(11-16)3-8(7)18-4-9(12)13/h2-3H,4H2,1H3,(H,12,13)(H,14,15)
InChI Key:
LWVBMTVGUAAMLN-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)O)c(cc1OCC(=O)O)N=O
Properties
Complexity:
332
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:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.182g/mol
Monoisotopic Mass:
255.038g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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