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88916-47-6 | 3H,7H-5,9a-Ethano-3a,7-methano-1H-furo[3,4-d]oxocin, tetrahydro-
CAS No: 88916-47-6 Catalog No: AG00488W MDL No:
Product Description
Catalog Number:
AG00488W
Chemical Name:
3H,7H-5,9a-Ethano-3a,7-methano-1H-furo[3,4-d]oxocin, tetrahydro-
CAS Number:
88916-47-6
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
3,8-dioxatetracyclo[5.4.2.15,9.01,5]tetradecane
InChI:
InChI=1S/C12H18O2/c1-3-11-4-2-10-6-12(11,8-13-7-11)5-9(1)14-10/h9-10H,1-8H2
InChI Key:
XKJHQFMKHNMBLX-UHFFFAOYSA-N
SMILES:
O1CC23C4(C1)CC(CC3)OC(C4)CC2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/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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