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7,8-dihydroxy-3H-spiro[1-benzopyran-2,1'-cyclohexan]-4-one

7,8-dihydroxy-3H-spiro[1-benzopyran-2,1'-cyclohexan]-4-one

CAS: 135110-69-9

Formula: C14H16O4

SMILES: OC1=C(O)C2=C(C=C1)C(=O)CC1(CCCCC1)O2

IUPAC: 7,8-dihydroxy-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-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

Composition: C (67.73%), H (6.50%), O (25.78%)

Molar Mass: 248.278

Atom Count: 34

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 248.104858995
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey VXZPJQXETDFJCN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.93
Topological Polar Surface Area 66.76
Polarizability 25.57
Ring Count 3
Rotatable Bond Count 0

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