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methyl 2-(2H-1,3-benzodioxol-5-yl)acetate

methyl 2-(2H-1,3-benzodioxol-5-yl)acetate

CAS: 326-59-0

Formula: C10H10O4

SMILES: COC(=O)CC1=CC2=C(OCO2)C=C1

IUPAC: methyl 2-(2H-1,3-benzodioxol-5-yl)acetate

InChI: InChI=1S/C10H10O4/c1-12-10(11)5-7-2-3-8-9(4-7)14-6-13-8/h2-4H,5-6H2,1H3

Composition: C (61.85%), H (5.19%), O (32.96%)

Molar Mass: 194.186

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 194.057908802
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey HEMYXNDMAAOTCK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.9
Topological Polar Surface Area 44.76
Polarizability 19.12
Ring Count 2
Rotatable Bond Count 3

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 326-59-0 $51.35-$120.18$51.35$63.37$75.38$86.31$120.18
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