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4-methoxybenzene-1,2-dicarboxylic acid

4-methoxybenzene-1,2-dicarboxylic acid

CAS: 1885-13-8

Formula: C9H8O5

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

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

InChI: InChI=1S/C9H8O5/c1-14-5-2-3-6(8(10)11)7(4-5)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 JKZSIEDAEHZAHQ-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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99.18% <7 Days 1885-13-8 $44.88-$193.55$44.88$86.96$193.55
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97% <6 Days 1885-13-8 $10.35-$184.00$10.35$24.15$184.00
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95% <5 Days 1885-13-8 $712.00-$1,000.00$712.00$840.00$1,000.00
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95% <14 Days 1885-13-8 $232.47-$1,581.93$232.47$1,581.93
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