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1,3-Dioxepane

CAS No.:
505-65-7
Catalog Number:
AG00375W
Molecular Formula:
C5H10O2
Molecular Weight:
102.1317
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$121
- +
5g
1 week
United States
$205
- +
10g
1 week
United States
$324
- +
25g
1 week
United States
$566
- +
Product Description
Catalog Number:
AG00375W
Chemical Name:
1,3-Dioxepane
CAS Number:
505-65-7
Molecular Formula:
C5H10O2
Molecular Weight:
102.1317
MDL Number:
MFCD00020992
IUPAC Name:
1,3-dioxepane
InChI:
InChI=1S/C5H10O2/c1-2-4-7-5-6-3-1/h1-5H2
InChI Key:
CZLMRJZAHXYRIX-UHFFFAOYSA-N
SMILES:
C1CCCOCO1
EC Number:
208-015-6
UNII:
06TKO0IFJN
NSC Number:
62077
Properties
Complexity:
39.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
102.068g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
102.133g/mol
Monoisotopic Mass:
102.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Conformational analysis of cis-3, 5-dioxa-bicyclo[5.4.0]undecane and its 4-substituted derivatives by DNMR, molecular modeling, and GIAO/DFT methods. Magnetic resonance in chemistry : MRC 20100901
Synthesis of marine polycyclic polyethers via endo-selective epoxide-opening cascades. Marine drugs 20100101
2,5-O-methylene-D-mannitol: two polymorphs and the NaI complex. Acta crystallographica. Section C, Crystal structure communications 20010401
Properties