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1003-83-4,MFCD22054122
Catalog No.:AA0001F9
1003-83-4 | 1,3-Dioxepin, 4,7-dihydro-2,2-dimethyl-
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Technical Information
Catalog Number:
AA0001F9
Chemical Name:
1,3-Dioxepin, 4,7-dihydro-2,2-dimethyl-
CAS Number:
1003-83-4
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD22054122
IUPAC Name:
2,2-dimethyl-4,7-dihydro-1,3-dioxepine
InChI:
InChI=1S/C7H12O2/c1-7(2)8-5-3-4-6-9-7/h3-4H,5-6H2,1-2H3
InChI Key:
ATZGUXPLGMKHOR-UHFFFAOYSA-N
SMILES:
CC1(C)OCC=CCO1
NSC Number:
693424
Properties
Computed Properties
 
Complexity:
104  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
2,2-Dimethyl-4,7-dihydro-1,3-dioxepine 
1003-83-4 
CHEMBL1988738 
CTK8C8304 
ATZGUXPLGMKHOR-UHFFFAOYSA-N 
ZINC5850415 
MFCD22054122 
AKOS024462396 
FCH2346769 
NSC-693424 
2,2-Dimethyl-1,3-dioxacyclohept-5-ene 
AJ-55058 
NSC693424 
AK161103 
AS-46581 
NCI60_033463 
4,7-Dihydro-2,2-dimethyl-1,3-dioxepine 
D5199 
cis-2,2-dimethyl-4,7-dihydro-1,3-dioxepin 
AR-1D1501 
CID392707 
4,7-dihydro-2,2-dimethyl-1,3-dioxepin 
10047-18-4 
2,2-dimethyl-4,7-dihydro-1,3-dioxepin 
A1-02673 
1,3-Dioxepin, 4,7-dihydro-2,2-dimethyl- 
2,2-Dimethyl-4,7-dihydro-2H-[1,3]dioxepin 
AC1L94LB 
AC1Q2CU8 
SCHEMBL1223287 
Literature
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