2-(carboxymethyl)-4,5-dimethoxybenzoic acid

2-(carboxymethyl)-4,5-dimethoxybenzoic acid

CAS: 3809-00-5

Formula: C11H12O6

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

IUPAC: 2-(carboxymethyl)-4,5-dimethoxybenzoic acid

InChI: InChI=1S/C11H12O6/c1-16-8-3-6(4-10(12)13)7(11(14)15)5-9(8)17-2/h3,5H,4H2,1-2H3,(H,12,13)(H,14,15)

Composition: C (55.00%), H (5.04%), O (39.96%)

Molar Mass: 240.211

Atom Count: 29

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	240.063388106
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	NOUUHGZLGUYQON-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.55
Topological Polar Surface Area	93.06
Polarizability	22.04
Ring Count	1
Rotatable Bond Count	5

Suppliers

LabNetwork INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	1 Day	3809-00-5		$785.70$785.70