VANILLIC ACID, 5-(4-CARBOXY-2-METHOXYPHENOXY)-

3-(4-carboxy-2-methoxyphenoxy)-4-hydroxy-5-methoxybenzoic acid

CAS: 2555-99-9

Molecular Formula	`C16H14O8`
Molecular Weight	334.28 g/mol
LogP	2.3
Topological Polar Surface Area	123.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	334.06888
Heavy Atoms	24
Complexity	453.0

Chemical Identifiers

CAS Number	2555-99-9
SMILES	`COC1=C(C=CC(=C1)C(=O)O)OC2=CC(=CC(=C2O)OC)C(=O)O`
InChIKey	`LFDSABYJTKMLLF-UHFFFAOYSA-N`

📖 Product Overview

VANILLIC ACID, 5-(4-CARBOXY-2-METHOXYPHENOXY)- (CAS: 2555-99-9) is a chemical compound with molecular formula C16H14O8 and molecular weight 334.28 g/mol. Its IUPAC systematic name is 3-(4-carboxy-2-methoxyphenoxy)-4-hydroxy-5-methoxybenzoic acid. LogP 2.3 Topological Polar Surface Area 123.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 8 Rotatable Bonds 6 Exact Mass 334.06888 Heavy Atoms 24 Complexity 453.0 InChI Key: LFDSABYJTKMLLF-UHFFFAOYSA-N. SMILES: COC1=C(C=CC(=C1)C(=O)O)OC2=CC(=CC(=C2O)OC)C(=O)O.

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