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3-acetyl-3-chlorooxolan-2-one

3-acetyl-3-chlorooxolan-2-one

CAS: 2986-00-7

Formula: C6H7ClO3

SMILES: CC(=O)C1(Cl)CCOC1=O

IUPAC: 3-acetyl-3-chlorooxolan-2-one

InChI: InChI=1/C6H7ClO3/c1-4(8)6(7)2-3-10-5(6)9/h2-3H2,1H3

Composition: C (44.33%), H (4.34%), Cl (21.81%), O (29.52%)

Molar Mass: 162.57

Atom Count: 17

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 162.0083718
Formal Charge 0
FSP3 0.67
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey CYCRRRIREKXQTK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 34.56
Topological Polar Surface Area 43.37
Polarizability 13.9
Ring Count 1
Rotatable Bond Count 1

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Struchem co.,ltd
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 2986-00-7 $628.00-$757.00$628.00$757.00
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Kinentia Biosciences LLC
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95% <14 Days 2986-00-7 $94.50-$354.38$94.50$354.38
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