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4-butylresorcinol

4-butylresorcinol

CAS: 18979-61-8

Formula: C10H14O2

SMILES: CCCCC1=C(O)C=C(O)C=C1

IUPAC: 4-butylbenzene-1,3-diol

InChI: InChI=1S/C10H14O2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h5-7,11-12H,2-4H2,1H3

Composition: C (72.26%), H (8.49%), O (19.25%)

Molar Mass: 166.22

Atom Count: 26

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 166.099379691
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey CSHZYWUPJWVTMQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.86
Topological Polar Surface Area 40.46
Polarizability 18.82
Ring Count 1
Rotatable Bond Count 3

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