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Home > Nitro Compounds > 102613-37-6
102613-37-6 | Urea, N-[2-(acetyloxy)ethyl]-N-nitroso-N'-phenyl-
CAS No: 102613-37-6 Catalog No: AG0007Y3 MDL No:
Product Description
Catalog Number:
AG0007Y3
Chemical Name:
Urea, N-[2-(acetyloxy)ethyl]-N-nitroso-N'-phenyl-
CAS Number:
102613-37-6
Molecular Formula:
C11H13N3O4
Molecular Weight:
251.2386
IUPAC Name:
2-[[nitroso(phenylcarbamoyl)amino]methyl]prop-2-enoic acid
InChI:
InChI=1S/C11H11N3O4/c1-8(10(15)16)7-14(13-18)11(17)12-9-5-3-2-4-6-9/h2-6H,1,7H2,(H,12,17)(H,15,16)
InChI Key:
NTOHKHXKERTEID-UHFFFAOYSA-N
SMILES:
O=NN(C(=O)Nc1ccccc1)CCOC(=O)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.226g/mol
Monoisotopic Mass:
249.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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