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methyl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate

methyl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate

CAS: 16386-34-8

Formula: C11H10O4

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

IUPAC: methyl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate

InChI: InChI=1S/C11H10O4/c1-13-11(12)5-3-8-2-4-9-10(6-8)15-7-14-9/h2-6H,7H2,1H3/b5-3+

Composition: C (64.08%), H (4.89%), O (31.04%)

Molar Mass: 206.197

Atom Count: 25

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 206.057908802
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey WPNYKVVEDMUXTO-HWKANZROSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.6
Topological Polar Surface Area 44.76
Polarizability 20.7
Ring Count 2
Rotatable Bond Count 3

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95% 1 Day 16386-34-8 $235.87-$825.55$235.87$412.78$825.55
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