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methyl 5-oxohexanoate

methyl 5-oxohexanoate

CAS: 13984-50-4

Formula: C7H12O3

SMILES: COC(=O)CCCC(C)=O

IUPAC: methyl 5-oxohexanoate

InChI: InChI=1S/C7H12O3/c1-6(8)4-3-5-7(9)10-2/h3-5H2,1-2H3

Composition: C (58.32%), H (8.39%), O (33.29%)

Molar Mass: 144.17

Atom Count: 22

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 144.078644246
Formal Charge 0
FSP3 0.71
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey AVVPOKSKJSJVIX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 36.46
Topological Polar Surface Area 43.37
Polarizability 14.5
Ring Count 0
Rotatable Bond Count 5

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