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4-(tert-butoxy)-3,3-dimethyl-4-oxobutanoic acid

4-(tert-butoxy)-3,3-dimethyl-4-oxobutanoic acid

CAS: 660423-00-7

Formula: C10H18O4

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

IUPAC: 4-(tert-butoxy)-3,3-dimethyl-4-oxobutanoic acid

InChI: InChI=1S/C10H18O4/c1-9(2,3)14-8(13)10(4,5)6-7(11)12/h6H2,1-5H3,(H,11,12)

Composition: C (59.39%), H (8.97%), O (31.64%)

Molar Mass: 202.25

Atom Count: 32

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 202.12050906
Formal Charge 0
FSP3 0.8
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HJPDRTSDGCUAIO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.19
Topological Polar Surface Area 63.6
Polarizability 20.48
Ring Count 0
Rotatable Bond Count 5

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