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1,4-dimethyl 2,5-dihydroxybenzene-1,4-dicarboxylate

1,4-dimethyl 2,5-dihydroxybenzene-1,4-dicarboxylate

CAS: 5870-37-1

Formula: C10H10O6

SMILES: COC(=O)C1=CC(O)=C(C=C1O)C(=O)OC

IUPAC: 1,4-dimethyl 2,5-dihydroxybenzene-1,4-dicarboxylate

InChI: InChI=1S/C10H10O6/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h3-4,11-12H,1-2H3

Composition: C (53.10%), H (4.46%), O (42.44%)

Molar Mass: 226.184

Atom Count: 26

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 226.047738042
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey WABMHCVYKWKAAH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.07
Topological Polar Surface Area 93.06
Polarizability 20.54
Ring Count 1
Rotatable Bond Count 4

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