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methyl 2,4,6-trihydroxybenzoate

methyl 2,4,6-trihydroxybenzoate

CAS: 3147-39-5

Formula: C8H8O5

SMILES: COC(=O)C1=C(O)C=C(O)C=C1O

IUPAC: methyl 2,4,6-trihydroxybenzoate

InChI: InChI=1S/C8H8O5/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3,9-11H,1H3

Composition: C (52.18%), H (4.38%), O (43.44%)

Molar Mass: 184.147

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 184.037173358
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey AQDIJIAUYXOCGX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.03
Topological Polar Surface Area 86.99
Polarizability 16.7
Ring Count 1
Rotatable Bond Count 2

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