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15052-12-7

15052-12-7 | 3,6-Methanonaphth[2,3-b]oxirene-2,7-dione, 1a,2a,3,6,6a,7a-hexahydro-, (1aR,2aR,3S,6R,6aS,7aS)-rel-

CAS No: 15052-12-7 Catalog No: AG001MP6 MDL No:

Product Description

Catalog Number:
AG001MP6
Chemical Name:
3,6-Methanonaphth[2,3-b]oxirene-2,7-dione, 1a,2a,3,6,6a,7a-hexahydro-, (1aR,2aR,3S,6R,6aS,7aS)-rel-
CAS Number:
15052-12-7
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
IUPAC Name:
5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene-3,7-dione
InChI:
InChI=1S/C11H10O3/c12-8-6-4-1-2-5(3-4)7(6)9(13)11-10(8)14-11/h1-2,4-7,10-11H,3H2
InChI Key:
CDIVHOHRKOWDBQ-UHFFFAOYSA-N
SMILES:
O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)[C@@H]2[C@H]1O2)C3
NSC Number:
266035

Properties

Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
6  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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