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13043-10-2

13043-10-2 | Urea, N,N''-1,2-ethanediylbis[N'-(hydroxymethyl)- (9CI)

CAS No: 13043-10-2 Catalog No: AG000UFB MDL No:

Product Description

Catalog Number:
AG000UFB
Chemical Name:
Urea, N,N''-1,2-ethanediylbis[N'-(hydroxymethyl)- (9CI)
CAS Number:
13043-10-2
Molecular Formula:
C6H14N4O4
Molecular Weight:
206.1998
IUPAC Name:
1-(hydroxymethyl)-3-[2-(hydroxymethylcarbamoylamino)ethyl]urea
InChI:
InChI=1S/C6H14N4O4/c11-3-9-5(13)7-1-2-8-6(14)10-4-12/h11-12H,1-4H2,(H2,7,9,13)(H2,8,10,14)
InChI Key:
YPSAQVJMWGDIOA-UHFFFAOYSA-N
SMILES:
OCNC(=O)NCCNC(=O)NCO
EC Number:
235-918-2

Properties

Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.102g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
206.202g/mol
Monoisotopic Mass:
206.102g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7  

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