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77661-71-3 | 1,3-Dioxepane, 4,4,7,7-tetramethyl-
CAS No: 77661-71-3 Catalog No: AG005GLH MDL No:
Product Description
Catalog Number:
AG005GLH
Chemical Name:
1,3-Dioxepane, 4,4,7,7-tetramethyl-
CAS Number:
77661-71-3
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
IUPAC Name:
4,4,7,7-tetramethyl-1,3-dioxepane
InChI:
InChI=1S/C9H18O2/c1-8(2)5-6-9(3,4)11-7-10-8/h5-7H2,1-4H3
InChI Key:
YXFAFPDQHWFQSL-UHFFFAOYSA-N
SMILES:
CC1(C)OCOC(CC1)(C)C
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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