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Home > Nitro Compounds > 71752-70-0
71752-70-0 | Urea,N-(3-hydroxypropyl)-N-nitroso-
CAS No: 71752-70-0 Catalog No: AG005QFU MDL No:
Product Description
Catalog Number:
AG005QFU
Chemical Name:
Urea,N-(3-hydroxypropyl)-N-nitroso-
CAS Number:
71752-70-0
Molecular Formula:
C4H9N3O3
Molecular Weight:
147.1326
IUPAC Name:
1-(3-hydroxypropyl)-1-nitrosourea
InChI:
InChI=1S/C4H9N3O3/c5-4(9)7(6-10)2-1-3-8/h8H,1-3H2,(H2,5,9)
InChI Key:
HDEPBBATNLJTLO-UHFFFAOYSA-N
SMILES:
OCCCN(C(=O)N)N=O
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.064g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
147.134g/mol
Monoisotopic Mass:
147.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Carcinogenicity of hydroxylated alkylnitrosoureas and of nitrosooxazolidones by mouse skin painting and by gavage in rats. | Cancer research 19830101 |
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