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Home > Other Heterocycles > 14487-70-8
14487-70-8 | Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-, 3-one
CAS No: 14487-70-8 Catalog No: AG001K9G MDL No:
Product Description
Catalog Number:
AG001K9G
Chemical Name:
Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-, 3-one
CAS Number:
14487-70-8
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
IUPAC Name:
3-diazo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C10H14N2O/c1-9(2)6-4-5-10(9,3)8(13)7(6)12-11/h6H,4-5H2,1-3H3
InChI Key:
SXDZTOIWUJMSIH-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C1C(=O)C2(C(C1CC2)(C)C)C
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
19.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Microwave specific Wolff rearrangement of alpha-diazoketones and its relevance to the nonthermal and thermal effect. | The Journal of organic chemistry 20020308 |
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