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174008-97-0 | Urea, N,N''-1,6-hexanediylbis[N'-(3-hydroxyphenyl)- (9CI)
CAS No: 174008-97-0 Catalog No: AG001ZDJ MDL No:
Product Description
Catalog Number:
AG001ZDJ
Chemical Name:
Urea, N,N''-1,6-hexanediylbis[N'-(3-hydroxyphenyl)- (9CI)
CAS Number:
174008-97-0
Molecular Formula:
C20H26N4O4
Molecular Weight:
386.4448
IUPAC Name:
1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea
InChI:
InChI=1S/C20H26N4O4/c25-17-9-5-7-15(13-17)23-19(27)21-11-3-1-2-4-12-22-20(28)24-16-8-6-10-18(26)14-16/h5-10,13-14,25-26H,1-4,11-12H2,(H2,21,23,27)(H2,22,24,28)
InChI Key:
PMUFMUCKUABXFC-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)O)NCCCCCCNC(=O)Nc1cccc(c1)O
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.195g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
386.452g/mol
Monoisotopic Mass:
386.195g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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