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1-(2,4-dihydroxy-3-propylphenyl)ethanone

1-(2,4-dihydroxy-3-propylphenyl)ethanone

CAS: 40786-69-4

Formula: C11H14O3

SMILES: CCCC1=C(O)C(=CC=C1O)C(C)=O

IUPAC: 1-(2,4-dihydroxy-3-propylphenyl)ethan-1-one

InChI: InChI=1S/C11H14O3/c1-3-4-9-10(13)6-5-8(7(2)12)11(9)14/h5-6,13-14H,3-4H2,1-2H3

Composition: C (68.02%), H (7.27%), O (24.71%)

Molar Mass: 194.23

Atom Count: 28

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 194.094294311
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey QGGRBWUQXAFYEC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.67
Topological Polar Surface Area 57.53
Polarizability 20.73
Ring Count 1
Rotatable Bond Count 3

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