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27640-19-3 | Urea, N,N''-1,3-propanediylbis[N-nitroso- (9CI)
CAS No: 27640-19-3 Catalog No: AG002UBE MDL No:
Product Description
Catalog Number:
AG002UBE
Chemical Name:
Urea, N,N''-1,3-propanediylbis[N-nitroso- (9CI)
CAS Number:
27640-19-3
Molecular Formula:
C5H10N6O4
Molecular Weight:
218.1707
IUPAC Name:
1-[3-[carbamoyl(nitroso)amino]propyl]-1-nitrosourea
InChI:
InChI=1S/C5H10N6O4/c6-4(12)10(8-14)2-1-3-11(9-15)5(7)13/h1-3H2,(H2,6,12)(H2,7,13)
InChI Key:
ITHVCVBHACZDEY-UHFFFAOYSA-N
SMILES:
O=NN(C(=O)N)CCCN(C(=O)N)N=O
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.173g/mol
Monoisotopic Mass:
218.076g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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