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6-(4-methoxyphenyl)-2H-1,3-benzodioxole-5-carbaldehyde

6-(4-methoxyphenyl)-2H-1,3-benzodioxole-5-carbaldehyde

CAS: 875854-00-5

Formula: C15H12O4

SMILES: COC1=CC=C(C=C1)C1=C(C=O)C=C2OCOC2=C1

IUPAC: 6-(4-methoxyphenyl)-2H-1,3-benzodioxole-5-carbaldehyde

InChI: InChI=1S/C15H12O4/c1-17-12-4-2-10(3-5-12)13-7-15-14(18-9-19-15)6-11(13)8-16/h2-8H,9H2,1H3

Composition: C (70.31%), H (4.72%), O (24.97%)

Molar Mass: 256.257

Atom Count: 31

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 256.073558866
Formal Charge 0
FSP3 0.13
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey SNRUWDPXFOWYDG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.01
Topological Polar Surface Area 44.76
Polarizability 28.15
Ring Count 3
Rotatable Bond Count 3

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95% <2 Days 875854-00-5 $51.35-$674.07$51.35$63.37$86.31$143.12$225.06$674.07
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