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tert-butyl (5S)-6-chloro-5-hydroxy-3-oxohexanoate

tert-butyl (5S)-6-chloro-5-hydroxy-3-oxohexanoate

CAS: 154026-92-3

Formula: C10H17ClO4

SMILES: CC(C)(C)OC(=O)CC(=O)C[C@H](O)CCl

IUPAC: tert-butyl (5S)-6-chloro-5-hydroxy-3-oxohexanoate

InChI: InChI=1S/C10H17ClO4/c1-10(2,3)15-9(14)5-7(12)4-8(13)6-11/h8,13H,4-6H2,1-3H3/t8-/m0/s1

Composition: C (50.75%), H (7.24%), Cl (14.98%), O (27.04%)

Molar Mass: 236.69

Atom Count: 32

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 236.0815367
Formal Charge 0
FSP3 0.8
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WLRFCPQXWBDLRG-QMMMGPOBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.53
Topological Polar Surface Area 63.6
Polarizability 22.55
Ring Count 0
Rotatable Bond Count 7

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