3-ethoxy-2,2-dimethyl-3-oxopropanoic acid

3-ethoxy-2,2-dimethyl-3-oxopropanoic acid

CAS: 5471-77-2

Formula: C7H12O4

SMILES: CCOC(=O)C(C)(C)C(O)=O

IUPAC: 3-ethoxy-2,2-dimethyl-3-oxopropanoic acid

InChI: InChI=1S/C7H12O4/c1-4-11-6(10)7(2,3)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	WDWFSABLPAHCPF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.58
Topological Polar Surface Area	63.6
Polarizability	15.01
Ring Count	0
Rotatable Bond Count	4

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