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olivetolic acid

olivetolic acid

CAS: 491-72-5

Formula: C12H16O4

SMILES: CCCCCC1=C(C(O)=O)C(O)=CC(O)=C1

IUPAC: 2,4-dihydroxy-6-pentylbenzoic acid

InChI: InChI=1S/C12H16O4/c1-2-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16)

Composition: C (64.27%), H (7.19%), O (28.54%)

Molar Mass: 224.256

Atom Count: 32

Heavy Atom Count: 16

Properties
Properties
Common Names olivetolic acid
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 224.104858995
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey SXFKFRRXJUJGSS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.72
Topological Polar Surface Area 77.76
Polarizability 23.02
Ring Count 1
Rotatable Bond Count 5

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