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67837-03-0 | 4-methylimidazolidin-2-one
CAS No: 67837-03-0 Catalog No: AG005PME MDL No:
Product Description
Catalog Number:
AG005PME
Chemical Name:
4-methylimidazolidin-2-one
CAS Number:
67837-03-0
Molecular Formula:
C4H8N2O
Molecular Weight:
100.1191
IUPAC Name:
2-[(5-benzamido-9,10-dioxoanthracen-1-yl)diazenyl]-N,N'-bis(2,3-dichlorophenyl)propanediamide
InChI:
InChI=1S/C36H21Cl4N5O5/c37-21-12-6-16-25(29(21)39)42-35(49)31(36(50)43-26-17-7-13-22(38)30(26)40)45-44-24-15-5-11-20-28(24)33(47)19-10-4-14-23(27(19)32(20)46)41-34(48)18-8-2-1-3-9-18/h1-17,31H,(H,41,48)(H,42,49)(H,43,50)
InChI Key:
UYUMJRLBPXJPGE-UHFFFAOYSA-N
SMILES:
CC1CNC(=O)N1
EC Number:
267-301-9
Properties
Complexity:
1280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
745.027g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
745.394g/mol
Monoisotopic Mass:
743.03g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1
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