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Home > Nitro Compounds > 1461714-49-7
1461714-49-7 | 5-methoxy-4-(methoxymethoxy)-2-nitrobenzoic acid
CAS No: 1461714-49-7 Catalog No: AG01ABTK MDL No:MFCD20797838
Product Description
Catalog Number:
AG01ABTK
Chemical Name:
5-methoxy-4-(methoxymethoxy)-2-nitrobenzoic acid
CAS Number:
1461714-49-7
Molecular Formula:
C10H11NO7
Molecular Weight:
257.1968
MDL Number:
MFCD20797838
IUPAC Name:
5-methoxy-4-(methoxymethoxy)-2-nitrobenzoic acid
InChI:
InChI=1S/C10H11NO7/c1-16-5-18-9-4-7(11(14)15)6(10(12)13)3-8(9)17-2/h3-4H,5H2,1-2H3,(H,12,13)
InChI Key:
CDQYOTWCSKZVGI-UHFFFAOYSA-N
SMILES:
COCOc1cc([N+](=O)[O-])c(cc1OC)C(=O)O
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.198g/mol
Monoisotopic Mass:
257.054g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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