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methyl 7-hydroxy-2H-1,3-benzodioxole-5-carboxylate

methyl 7-hydroxy-2H-1,3-benzodioxole-5-carboxylate

CAS: 116119-01-8

Formula: C9H8O5

SMILES: COC(=O)C1=CC(O)=C2OCOC2=C1

IUPAC: methyl 7-hydroxy-2H-1,3-benzodioxole-5-carboxylate

InChI: InChI=1S/C9H8O5/c1-12-9(11)5-2-6(10)8-7(3-5)13-4-14-8/h2-3,10H,4H2,1H3

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 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ZHGPEDRDUUKPCF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.83
Topological Polar Surface Area 64.99
Polarizability 17.94
Ring Count 2
Rotatable Bond Count 2

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