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methyl 4-(3-chlorophenyl)-2-oxobut-3-enoate

methyl 4-(3-chlorophenyl)-2-oxobut-3-enoate

CAS: 1112238-35-3

Formula: C11H9ClO3

SMILES: COC(=O)C(=O)C=CC1=CC=CC(Cl)=C1

IUPAC: methyl 4-(3-chlorophenyl)-2-oxobut-3-enoate

InChI: InChI=1S/C11H9ClO3/c1-15-11(14)10(13)6-5-8-3-2-4-9(12)7-8/h2-7H,1H3

Composition: C (58.81%), H (4.04%), Cl (15.78%), O (21.37%)

Molar Mass: 224.64

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 224.0240218
Formal Charge 0
FSP3 0.09
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey DEGHGCFUXGDZGK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.98
Topological Polar Surface Area 43.37
Polarizability 22.03
Ring Count 1
Rotatable Bond Count 4

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Purity (%)
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Ships Within
Days
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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1112238-35-3 $51.35-$539.70$51.35$63.37$86.31$113.62$180.26$539.70
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