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113412-40-1 | Benzoic acid, 2-[4-(diethylamino)benzoyl]-5-(dimethylamino)-
CAS No: 113412-40-1 Catalog No: AG0008HV MDL No:
Product Description
Catalog Number:
AG0008HV
Chemical Name:
Benzoic acid, 2-[4-(diethylamino)benzoyl]-5-(dimethylamino)-
CAS Number:
113412-40-1
Molecular Formula:
C20H24N2O3
Molecular Weight:
340.4162
IUPAC Name:
2-[4-(diethylamino)benzoyl]-5-(dimethylamino)benzoic acid
InChI:
InChI=1S/C20H24N2O3/c1-5-22(6-2)15-9-7-14(8-10-15)19(23)17-12-11-16(21(3)4)13-18(17)20(24)25/h7-13H,5-6H2,1-4H3,(H,24,25)
InChI Key:
KCMLTOORWMYWHK-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)C(=O)c1ccc(cc1C(=O)O)N(C)C)CC
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.179g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.423g/mol
Monoisotopic Mass:
340.179g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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