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114347-18-1 | 1,4-Benzodioxin, 2,3,5,6,7,8-hexahydro-
CAS No: 114347-18-1 Catalog No: AG000B4Z MDL No:
Product Description
Catalog Number:
AG000B4Z
Chemical Name:
1,4-Benzodioxin, 2,3,5,6,7,8-hexahydro-
CAS Number:
114347-18-1
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
2,3,5,6,7,8-hexahydro-1,4-benzodioxine
InChI:
InChI=1S/C8H12O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H2
InChI Key:
CKFXBYNDTGHFKT-UHFFFAOYSA-N
SMILES:
C1CCC2=C(C1)OCCO2
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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