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2,4,5-trimethoxyphenol

2,4,5-trimethoxyphenol

CAS: 20491-91-2

Formula: C9H12O4

SMILES: COC1=CC(OC)=C(OC)C=C1O

IUPAC: 2,4,5-trimethoxyphenol

InChI: InChI=1S/C9H12O4/c1-11-7-5-9(13-3)8(12-2)4-6(7)10/h4-5,10H,1-3H3

Composition: C (58.69%), H (6.57%), O (34.74%)

Molar Mass: 184.191

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 184.073558866
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey QUPHIMRKLSEULX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.43
Topological Polar Surface Area 47.92
Polarizability 18.52
Ring Count 1
Rotatable Bond Count 3

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