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166442-35-9 | Benzoic acid, 2-[4-(dimethylamino)-2-hydroxybenzoyl]-5-nitro-
CAS No: 166442-35-9 Catalog No: AG001WR4 MDL No:
Product Description
Catalog Number:
AG001WR4
Chemical Name:
Benzoic acid, 2-[4-(dimethylamino)-2-hydroxybenzoyl]-5-nitro-
CAS Number:
166442-35-9
Molecular Formula:
C16H14N2O6
Molecular Weight:
330.2922
IUPAC Name:
2-[4-(dimethylamino)-2-hydroxybenzoyl]-5-nitrobenzoic acid
InChI:
InChI=1S/C16H14N2O6/c1-17(2)9-3-6-12(14(19)8-9)15(20)11-5-4-10(18(23)24)7-13(11)16(21)22/h3-8,19H,1-2H3,(H,21,22)
InChI Key:
PRRWAMBIGMTQIQ-UHFFFAOYSA-N
SMILES:
Oc1cc(ccc1C(=O)c1ccc(cc1C(=O)O)[N+](=O)[O-])N(C)C
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.085g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.296g/mol
Monoisotopic Mass:
330.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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