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3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoic acid

3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoic acid

Formula: C14H18O4

SMILES: CC1=C(C)C(=O)C(=C(C)C1=O)C(C)(C)CC(O)=O

IUPAC: 3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoic acid

InChI: InChI=1S/C14H18O4/c1-7-8(2)13(18)11(9(3)12(7)17)14(4,5)6-10(15)16/h6H2,1-5H3,(H,15,16)

Composition: C (67.18%), H (7.25%), O (25.57%)

Molar Mass: 250.294

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 250.12050906
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey FBAAISUPDBJYDO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.35
Topological Polar Surface Area 71.44
Polarizability 25.98
Ring Count 1
Rotatable Bond Count 3

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Purity (%)
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Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <14 Days C14H18O4 Quote Only
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C14H18O4 Quote Only