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2-methoxybenzene-1,4-dicarboxylic acid

2-methoxybenzene-1,4-dicarboxylic acid

CAS: 5156-00-3

Formula: C9H8O5

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

IUPAC: 2-methoxybenzene-1,4-dicarboxylic acid

InChI: InChI=1S/C9H8O5/c1-14-7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)

Composition: C (55.11%), H (4.11%), O (40.78%)

Molar Mass: 196.158

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 196.037173358
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey VQBBXLZPRXHYBO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.03
Topological Polar Surface Area 83.83
Polarizability 17.64
Ring Count 1
Rotatable Bond Count 3

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Struchem co.,ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 5156-00-3 $1,034.00$1,034.00
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LabNetwork INC
Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 5156-00-3 $943.65$943.65
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