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113847-06-6 | Benzoic acid, 4,4'-(methylenediimino)bis-, dimethyl ester (9CI)
CAS No: 113847-06-6 Catalog No: AG0009VK MDL No:
Product Description
Catalog Number:
AG0009VK
Chemical Name:
Benzoic acid, 4,4'-(methylenediimino)bis-, dimethyl ester (9CI)
CAS Number:
113847-06-6
Molecular Formula:
C17H18N2O4
Molecular Weight:
314.3358
IUPAC Name:
methyl 4-[(4-methoxycarbonylanilino)methylamino]benzoate
InChI:
InChI=1S/C17H18N2O4/c1-22-16(20)12-3-7-14(8-4-12)18-11-19-15-9-5-13(6-10-15)17(21)23-2/h3-10,18-19H,11H2,1-2H3
InChI Key:
KAXDXEXDFLPKPH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)NCNc1ccc(cc1)C(=O)OC
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.127g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.341g/mol
Monoisotopic Mass:
314.127g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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