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3-(2H-1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one

3-(2H-1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one

CAS: 19152-39-7

Formula: C16H12O4

SMILES: OC1=CC=C(C=C1)C(=O)C=CC1=CC2=C(OCO2)C=C1

IUPAC: 3-(2H-1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one

InChI: InChI=1S/C16H12O4/c17-13-5-3-12(4-6-13)14(18)7-1-11-2-8-15-16(9-11)20-10-19-15/h1-9,17H,10H2

Composition: C (71.64%), H (4.51%), O (23.86%)

Molar Mass: 268.268

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 268.073558866
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey AZEHEBLLFINCCX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.62
Topological Polar Surface Area 55.76
Polarizability 28.32
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 19152-39-7 $51.35-$120.18$51.35$63.37$75.38$86.31$120.18
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