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1003-83-4 | 1,3-Dioxepin, 4,7-dihydro-2,2-dimethyl-
CAS No: 1003-83-4 Catalog No: AG0001I1 MDL No:MFCD22054122
Product Description
Catalog Number:
AG0001I1
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
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
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