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Home > Nitro Compounds > 1096802-87-7
1096802-87-7 | 4-(cyanomethoxy)-5-methoxy-2-nitrobenzoic acid
CAS No: 1096802-87-7 Catalog No: AG019XGB MDL No:MFCD11536189
Product Description
Catalog Number:
AG019XGB
Chemical Name:
4-(cyanomethoxy)-5-methoxy-2-nitrobenzoic acid
CAS Number:
1096802-87-7
Molecular Formula:
C10H8N2O6
Molecular Weight:
252.1803
MDL Number:
MFCD11536189
IUPAC Name:
4-(cyanomethoxy)-5-methoxy-2-nitrobenzoic acid
InChI:
InChI=1S/C10H8N2O6/c1-17-8-4-6(10(13)14)7(12(15)16)5-9(8)18-3-2-11/h4-5H,3H2,1H3,(H,13,14)
InChI Key:
UJNDDUBWBAQDEF-UHFFFAOYSA-N
SMILES:
N#CCOc1cc([N+](=O)[O-])c(cc1OC)C(=O)O
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.182g/mol
Monoisotopic Mass:
252.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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