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4-(3,4-dicarboxyphenoxy)benzene-1,2-dicarboxylic acid

4-(3,4-dicarboxyphenoxy)benzene-1,2-dicarboxylic acid

CAS: 7717-76-2

Formula: C16H10O9

SMILES: OC(=O)C1=CC=C(OC2=CC=C(C(O)=O)C(=C2)C(O)=O)C=C1C(O)=O

IUPAC: 4-(3,4-dicarboxyphenoxy)benzene-1,2-dicarboxylic acid

InChI: InChI=1S/C16H10O9/c17-13(18)9-3-1-7(5-11(9)15(21)22)25-8-2-4-10(14(19)20)12(6-8)16(23)24/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)

Composition: C (55.50%), H (2.91%), O (41.59%)

Molar Mass: 346.247

Atom Count: 35

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 346.032481902
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 4
InChIKey AIVVXPSKEVWKMY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.32
Topological Polar Surface Area 158.43
Polarizability 30.27
Ring Count 2
Rotatable Bond Count 6

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