{4-oxo-3H-spiro[1-benzopyran-2,1'-cyclohexan]-6-yloxy}acetic acid

{4-oxo-3H-spiro[1-benzopyran-2,1'-cyclohexan]-6-yloxy}acetic acid

CAS: 135111-35-2

Formula: C16H18O5

SMILES: OC(=O)COC1=CC=C2OC3(CCCCC3)CC(=O)C2=C1

IUPAC: 2-{4-oxo-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-6-yloxy}acetic acid

InChI: InChI=1S/C16H18O5/c17-13-9-16(6-2-1-3-7-16)21-14-5-4-11(8-12(13)14)20-10-15(18)19/h4-5,8H,1-3,6-7,9-10H2,(H,18,19)

Composition: C (66.20%), H (6.25%), O (27.55%)

Molar Mass: 290.315

Atom Count: 39

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	290.11542368
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	DHVARIMZVITILK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.52
Topological Polar Surface Area	72.83
Polarizability	29.25
Ring Count	3
Rotatable Bond Count	3

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