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tert-butyl 6-chloro-5-hydroxy-3-oxohex-4-enoate

tert-butyl 6-chloro-5-hydroxy-3-oxohex-4-enoate

CAS: 276249-18-4

Formula: C10H15ClO4

SMILES: CC(C)(C)OC(=O)CC(=O)C=C(O)CCl

IUPAC: tert-butyl 6-chloro-5-hydroxy-3-oxohex-4-enoate

InChI: InChI=1S/C10H15ClO4/c1-10(2,3)15-9(14)5-7(12)4-8(13)6-11/h4,13H,5-6H2,1-3H3

Composition: C (51.18%), H (6.44%), Cl (15.11%), O (27.27%)

Molar Mass: 234.68

Atom Count: 30

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 234.0658867
Formal Charge 0
FSP3 0.6
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ZKNGTFRNZKNUEI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.15
Topological Polar Surface Area 63.6
Polarizability 22.3
Ring Count 0
Rotatable Bond Count 6

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