pentan-3-yl 3-oxobutanoate

pentan-3-yl 3-oxobutanoate

CAS: 13562-81-7

Formula: C9H16O3

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

IUPAC: pentan-3-yl 3-oxobutanoate

InChI: InChI=1S/C9H16O3/c1-4-8(5-2)12-9(11)6-7(3)10/h8H,4-6H2,1-3H3

Composition: C (62.77%), H (9.36%), O (27.87%)

Molar Mass: 172.224

Atom Count: 28

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	172.109944375
Formal Charge	0
FSP3	0.78
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	PFTIWTQFHWICDR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.52
Topological Polar Surface Area	43.37
Polarizability	18.16
Ring Count	0
Rotatable Bond Count	6

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