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14166-28-0 | (3ar,7as)-hexahydro-4,7-methano-2-benzofuran-1,3-dione
CAS No: 14166-28-0 Catalog No: AG0038XQ MDL No:MFCD11046554
Product Description
Catalog Number:
AG0038XQ
Chemical Name:
(3ar,7as)-hexahydro-4,7-methano-2-benzofuran-1,3-dione
CAS Number:
14166-28-0
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD11046554
IUPAC Name:
(1S,2R,6S,7R)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
InChI:
InChI=1S/C9H10O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h4-7H,1-3H2/t4-,5+,6+,7-
InChI Key:
LQOPXMZSGSTGMF-RNGGSSJXSA-N
SMILES:
O=C1OC(=O)[C@@H]2[C@H]1C1CCC2C1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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