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1,4-dimethyl 2-hydroxybenzene-1,4-dicarboxylate

1,4-dimethyl 2-hydroxybenzene-1,4-dicarboxylate

CAS: 6342-72-9

Formula: C10H10O5

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

IUPAC: 1,4-dimethyl 2-hydroxybenzene-1,4-dicarboxylate

InChI: InChI=1S/C10H10O5/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5,11H,1-2H3

Composition: C (57.14%), H (4.80%), O (38.06%)

Molar Mass: 210.185

Atom Count: 25

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 210.052823422
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CJOJIAKIRLKBOO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.09
Topological Polar Surface Area 72.83
Polarizability 19.87
Ring Count 1
Rotatable Bond Count 4

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