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2-(4-methoxyphenyl)-2-oxoacetaldehyde hydrate

2-(4-methoxyphenyl)-2-oxoacetaldehyde hydrate

CAS: 16208-17-6

Formula: C9H10O4

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

IUPAC: 2-(4-methoxyphenyl)-2-oxoacetaldehyde hydrate

InChI: InChI=1S/C9H8O3.H2O/c1-12-8-4-2-7(3-5-8)9(11)6-10;/h2-6H,1H3;1H2

Composition: C (59.34%), H (5.53%), O (35.13%)

Molar Mass: 182.175

Atom Count: 23

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 182.057908802
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey VPGRGFXPHBTWAZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.78
Topological Polar Surface Area 43.37
Polarizability 16.66
Ring Count 1
Rotatable Bond Count 3

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Kinentia Biosciences LLC
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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 16208-17-6 $102.06-$382.73$102.06$382.73
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MATRIX SCIENTIFIC
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97% <2 Days 16208-17-6 $53.48-$235.29$53.48$235.29
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