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Home > Other Heterocycles > 919744-57-3
919744-57-3 | 6'-ethyl-10'-hydroxy-4',8'-dihydro-3'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-8'-one
CAS No: 919744-57-3 Catalog No: AG01B622 MDL No:MFCD08748146
Product Description
Catalog Number:
AG01B622
Chemical Name:
6'-ethyl-10'-hydroxy-4',8'-dihydro-3'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-8'-one
CAS Number:
919744-57-3
Molecular Formula:
C19H22O4
Molecular Weight:
314.3756
MDL Number:
MFCD08748146
IUPAC Name:
6-ethyl-10-hydroxyspiro[3,4-dihydropyrano[3,2-g]chromene-2,1'-cyclohexane]-8-one
InChI:
InChI=1S/C19H22O4/c1-2-12-11-15(20)22-18-14(12)10-13-6-9-19(7-4-3-5-8-19)23-17(13)16(18)21/h10-11,21H,2-9H2,1H3
InChI Key:
IJNURJXKTZAYQP-UHFFFAOYSA-N
SMILES:
CCc1cc(=O)oc2c1cc1CCC3(Oc1c2O)CCCCC3
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.381g/mol
Monoisotopic Mass:
314.152g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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