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291-92-9 | 1,3-Dioxepin
CAS No: 291-92-9 Catalog No: AG002XC1 MDL No:
Product Description
Catalog Number:
AG002XC1
Chemical Name:
1,3-Dioxepin
CAS Number:
291-92-9
Molecular Formula:
C5H6O2
Molecular Weight:
98.0999
IUPAC Name:
1,3-dioxepine
InChI:
InChI=1S/C5H6O2/c1-2-4-7-5-6-3-1/h1-4H,5H2
InChI Key:
GTPWYANJPNGAAY-UHFFFAOYSA-N
SMILES:
C1OC=CC=CO1
Properties
Complexity:
82.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.037g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
98.101g/mol
Monoisotopic Mass:
98.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| New vandetanib analogs: fused tricyclic quinazolines with antiangiogenic potential. | Investigational new drugs 20120401 |
| 2',10'-Dibromo-spiro-[cylohexane-1,6-di-benzo[d,f][1,3]dioxepine]. | Acta crystallographica. Section E, Structure reports online 20100501 |
| Formation of 2-substituted benzofuran fragment ions from 6-alkyl- and 6-aryldibenzo(d,f)(1,3)dioxepine derivatives under electron ionization-a useful precursor ion for isomeric differentiation. | Journal of mass spectrometry : JMS 20090201 |
| A diastereoselective intermolecular heck reaction of 1,3-dioxepins. | Organic letters 20071122 |
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