methyl 6-chloro-6-oxohexanoate

methyl 6-chloro-6-oxohexanoate

CAS: 35444-44-1

Formula: C7H11ClO3

SMILES: COC(=O)CCCCC(Cl)=O

IUPAC: methyl 6-chloro-6-oxohexanoate

InChI: InChI=1S/C7H11ClO3/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3

Composition: C (47.07%), H (6.21%), Cl (19.85%), O (26.87%)

Molar Mass: 178.61

Atom Count: 22

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	178.0396719
Formal Charge	0
FSP3	0.71
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	HDLGIEZOMYJKAK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.37
Topological Polar Surface Area	43.37
Polarizability	16.44
Ring Count	0
Rotatable Bond Count	6

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