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159435-03-7 | Benzoic acid, 2-[4-(dimethylamino)-2-hydroxybenzoyl]-5-nitro-, methyl ester
CAS No: 159435-03-7 Catalog No: AG001QPK MDL No:
Product Description
Catalog Number:
AG001QPK
Chemical Name:
Benzoic acid, 2-[4-(dimethylamino)-2-hydroxybenzoyl]-5-nitro-, methyl ester
CAS Number:
159435-03-7
Molecular Formula:
C17H16N2O6
Molecular Weight:
344.3187
IUPAC Name:
methyl 2-[4-(dimethylamino)-2-hydroxybenzoyl]-5-nitrobenzoate
InChI:
InChI=1S/C17H16N2O6/c1-18(2)10-4-7-13(15(20)9-10)16(21)12-6-5-11(19(23)24)8-14(12)17(22)25-3/h4-9,20H,1-3H3
InChI Key:
QZWNCXYWULFBHZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1C(=O)c1ccc(cc1O)N(C)C)[N+](=O)[O-]
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.101g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.323g/mol
Monoisotopic Mass:
344.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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