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Home > Nitro Compounds > 649557-68-6
649557-68-6 | Benzoic acid, 3,5-dihydroxy-4-[(2-nitrophenyl)methoxy]-, methyl ester
CAS No: 649557-68-6 Catalog No: AG00H7OG MDL No:
Product Description
Catalog Number:
AG00H7OG
Chemical Name:
Benzoic acid, 3,5-dihydroxy-4-[(2-nitrophenyl)methoxy]-, methyl ester
CAS Number:
649557-68-6
Molecular Formula:
C15H13NO7
Molecular Weight:
319.2662
IUPAC Name:
methyl 3,5-dihydroxy-4-[(2-nitrophenyl)methoxy]benzoate
InChI:
InChI=1S/C15H13NO7/c1-22-15(19)10-6-12(17)14(13(18)7-10)23-8-9-4-2-3-5-11(9)16(20)21/h2-7,17-18H,8H2,1H3
InChI Key:
BLJDYXITZSQOJO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(O)c(c(c1)O)OCc1ccccc1[N+](=O)[O-]
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.069g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.269g/mol
Monoisotopic Mass:
319.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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