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Home > Other Heterocycles > 135110-69-9
135110-69-9 | 7,8-Dihydroxyspiro[chromene-2,1'-cyclohexan]-4(3H)-one
CAS No: 135110-69-9 Catalog No: AG00HTVY MDL No:MFCD08741817
Product Description
Catalog Number:
AG00HTVY
Chemical Name:
7,8-Dihydroxyspiro[chromene-2,1'-cyclohexan]-4(3H)-one
CAS Number:
135110-69-9
Molecular Formula:
C14H16O4
Molecular Weight:
248.2744
MDL Number:
MFCD08741817
IUPAC Name:
7,8-dihydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
InChI:
InChI=1S/C14H16O4/c15-10-5-4-9-11(16)8-14(6-2-1-3-7-14)18-13(9)12(10)17/h4-5,15,17H,1-3,6-8H2
InChI Key:
VXZPJQXETDFJCN-UHFFFAOYSA-N
SMILES:
O=C1CC2(CCCCC2)Oc2c1ccc(c2O)O
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.278g/mol
Monoisotopic Mass:
248.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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