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Home > Nitro Compounds > 121893-20-7
121893-20-7 | Formic acid, nitroso-, 1,1-dimethylethyl ester (9CI)
CAS No: 121893-20-7 Catalog No: AG0016CE MDL No:
Product Description
Catalog Number:
AG0016CE
Chemical Name:
Formic acid, nitroso-, 1,1-dimethylethyl ester (9CI)
CAS Number:
121893-20-7
Molecular Formula:
C5H9NO3
Molecular Weight:
131.1299
IUPAC Name:
tert-butyl N-oxocarbamate
InChI:
InChI=1S/C5H9NO3/c1-5(2,3)9-4(7)6-8/h1-3H3
InChI Key:
VNOOCKOUUMIAAY-UHFFFAOYSA-N
SMILES:
O=NC(=O)OC(C)(C)C
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.131g/mol
Monoisotopic Mass:
131.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Explorations on the total synthesis of the unusual marine alkaloid chartelline A. | The Journal of organic chemistry 20060414 |
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