2,4,6-trimethoxybenzoic acid

2,4,6-trimethoxybenzoic acid

CAS: 570-02-5

Formula: C10H12O5

SMILES: COC1=CC(OC)=C(C(O)=O)C(OC)=C1

IUPAC: 2,4,6-trimethoxybenzoic acid

InChI: InChI=1S/C10H12O5/c1-13-6-4-7(14-2)9(10(11)12)8(5-6)15-3/h4-5H,1-3H3,(H,11,12)

Composition: C (56.60%), H (5.70%), O (37.70%)

Molar Mass: 212.201

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	212.068473486
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	JATAKEDDMQNPOQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.7
Topological Polar Surface Area	64.99
Polarizability	20.3
Ring Count	1
Rotatable Bond Count	4

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