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156900-92-4 | Spiro[oxirane-2,1'(2'H)-pentaleno[1,6a-c]pyran]-5'-carboxylic acid, octahydro-7',8'-dimethyl-2'-oxo-, [1'R-(1'α,4'aα,5'α,6'aβ,7'α,8'β,9'aR*)]- (9CI)
CAS No: 156900-92-4 Catalog No: AG001P3L MDL No:
Product Description
Catalog Number:
AG001P3L
Chemical Name:
Spiro[oxirane-2,1'(2'H)-pentaleno[1,6a-c]pyran]-5'-carboxylic acid, octahydro-7',8'-dimethyl-2'-oxo-, [1'R-(1'α,4'aα,5'α,6'aβ,7'α,8'β,9'aR*)]- (9CI)
CAS Number:
156900-92-4
IUPAC Name:
7,8-dimethyl-2-oxospiro[4,4a,5,6,6a,7,8,9-octahydropentaleno[1,6a-c]pyran-1,2'-oxirane]-5-carboxylic acid
InChI:
InChI=1S/C15H20O5/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15/h7-11H,3-6H2,1-2H3,(H,16,17)
InChI Key:
HXNTZKHPSFBXPN-UHFFFAOYSA-N
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.32g/mol
Monoisotopic Mass:
280.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
7
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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