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1252-44-4 | Benzenecarboximidic acid, 4,4'-[1,5-pentanediylbis(oxy)]bis-, diethyl ester (9CI)
CAS No: 1252-44-4 Catalog No: AG000NCE MDL No:
Product Description
Catalog Number:
AG000NCE
Chemical Name:
Benzenecarboximidic acid, 4,4'-[1,5-pentanediylbis(oxy)]bis-, diethyl ester (9CI)
CAS Number:
1252-44-4
Molecular Formula:
C23H30N2O4
Molecular Weight:
398.4953
IUPAC Name:
ethyl 4-[5-[4-(C-ethoxycarbonimidoyl)phenoxy]pentoxy]benzenecarboximidate
InChI:
InChI=1S/C23H30N2O4/c1-3-26-22(24)18-8-12-20(13-9-18)28-16-6-5-7-17-29-21-14-10-19(11-15-21)23(25)27-4-2/h8-15,24-25H,3-7,16-17H2,1-2H3
InChI Key:
WUUFSTSLUVCZAL-UHFFFAOYSA-N
SMILES:
CCOC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)OCC
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.221g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
398.503g/mol
Monoisotopic Mass:
398.221g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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