3-(tert-butoxy)-3-oxopropanoic acid

3-(tert-butoxy)-3-oxopropanoic acid

CAS: 40052-13-9

Formula: C7H12O4

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

IUPAC: 3-(tert-butoxy)-3-oxopropanoic acid

InChI: InChI=1S/C7H12O4/c1-7(2,3)11-6(10)4-5(8)9/h4H2,1-3H3,(H,8,9)

Composition: C (52.49%), H (7.55%), O (39.96%)

Molar Mass: 160.169

Atom Count: 23

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	160.073558866
Formal Charge	0
FSP3	0.71
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NGGGZUAEOKRHMA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.56
Topological Polar Surface Area	63.6
Polarizability	15.01
Ring Count	0
Rotatable Bond Count	4

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