tert-butyl 2-methyl-3-oxobutanoate

tert-butyl 2-methyl-3-oxobutanoate

CAS: 39149-65-0

Formula: C9H16O3

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

IUPAC: tert-butyl 2-methyl-3-oxobutanoate

InChI: InChI=1/C9H16O3/c1-6(7(2)10)8(11)12-9(3,4)5/h6H,1-5H3

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	1
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	QIFZMFUCASLNCC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.69
Topological Polar Surface Area	43.37
Polarizability	18.16
Ring Count	0
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	39149-65-0		$172.85-$257.72$172.85$257.72