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14026-85-8 | Cycloprop[6,7]indeno[4,5-b]furan-2(3H)-one, 6-(acetyloxy)decahydro-7a-hydroxy-4a,7-dimethyl-3-methylene- (9CI)
CAS No: 14026-85-8 Catalog No: AG001C8A MDL No:
Product Description
Catalog Number:
AG001C8A
Chemical Name:
Cycloprop[6,7]indeno[4,5-b]furan-2(3H)-one, 6-(acetyloxy)decahydro-7a-hydroxy-4a,7-dimethyl-3-methylene- (9CI)
CAS Number:
14026-85-8
Molecular Formula:
C17H22O5
Molecular Weight:
306.3536
IUPAC Name:
(10-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8-oxatetracyclo[8.3.0.02,4.05,9]tridecan-12-yl) acetate
InChI:
InChI=1S/C17H22O5/c1-7-13-10-6-16(10,4)12-5-11(21-9(3)18)8(2)17(12,20)14(13)22-15(7)19/h8,10-14,20H,1,5-6H2,2-4H3
InChI Key:
UIDYHYYEAGPNQR-UHFFFAOYSA-N
SMILES:
CC(=O)OC1CC2C(C1C)(O)C1OC(=O)C(=C)C1C1C2(C)C1
NSC Number:
145906
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.358g/mol
Monoisotopic Mass:
306.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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