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methyl 1,4-dihydroxynaphthalene-2-carboxylate

methyl 1,4-dihydroxynaphthalene-2-carboxylate

CAS: 77060-74-3

Formula: C12H10O4

SMILES: COC(=O)C1=C(O)C2=CC=CC=C2C(O)=C1

IUPAC: methyl 1,4-dihydroxynaphthalene-2-carboxylate

InChI: InChI=1S/C12H10O4/c1-16-12(15)9-6-10(13)7-4-2-3-5-8(7)11(9)14/h2-6,13-14H,1H3

Composition: C (66.05%), H (4.62%), O (29.33%)

Molar Mass: 218.208

Atom Count: 26

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 218.057908802
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey CRMAPJSLKLVFBT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.5
Topological Polar Surface Area 66.76
Polarizability 23.46
Ring Count 2
Rotatable Bond Count 2

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