methyl 3-oxohexanoate

methyl 3-oxohexanoate

CAS: 30414-54-1

Formula: C7H12O3

SMILES: CCCC(=O)CC(=O)OC

IUPAC: methyl 3-oxohexanoate

InChI: InChI=1S/C7H12O3/c1-3-4-6(8)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	SJPCQNABHNCLPB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.54
Topological Polar Surface Area	43.37
Polarizability	14.5
Ring Count	0
Rotatable Bond Count	5

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