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13309-99-4 | 4H-1,3-Benzodioxin, hexahydro-, (4aR,8aS)-rel-
CAS No: 13309-99-4 Catalog No: AG00148V MDL No:
Product Description
Catalog Number:
AG00148V
Chemical Name:
4H-1,3-Benzodioxin, hexahydro-, (4aR,8aS)-rel-
CAS Number:
13309-99-4
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
InChI:
InChI=1S/C8H14O2/c1-2-4-8-7(3-1)5-9-6-10-8/h7-8H,1-6H2
InChI Key:
HCKOFNAZWWTBQN-UHFFFAOYSA-N
SMILES:
C1CC[C@H]2[C@H](C1)OCOC2
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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