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3-ethyl-3-methylpentanedioic acid

3-ethyl-3-methylpentanedioic acid

CAS: 5345-01-7

Formula: C8H14O4

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

IUPAC: 3-ethyl-3-methylpentanedioic acid

InChI: InChI=1S/C8H14O4/c1-3-8(2,4-6(9)10)5-7(11)12/h3-5H2,1-2H3,(H,9,10)(H,11,12)

Composition: C (55.16%), H (8.10%), O (36.74%)

Molar Mass: 174.196

Atom Count: 26

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 174.089208931
Formal Charge 0
FSP3 0.75
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey XAWFHZMTJUGGEE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.76
Topological Polar Surface Area 74.6
Polarizability 16.6
Ring Count 0
Rotatable Bond Count 5

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