5-tert-butyl-2-methylfuran-3-carboxylic acid

5-tert-butyl-2-methylfuran-3-carboxylic acid

CAS: 38422-62-7

Formula: C10H14O3

SMILES: CC1=C(C=C(O1)C(C)(C)C)C(O)=O

IUPAC: 5-tert-butyl-2-methylfuran-3-carboxylic acid

InChI: InChI=1S/C10H14O3/c1-6-7(9(11)12)5-8(13-6)10(2,3)4/h5H,1-4H3,(H,11,12)

Composition: C (65.92%), H (7.74%), O (26.34%)

Molar Mass: 182.219

Atom Count: 27

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	182.094294311
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	NWWAPYOVUAEIJB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.52
Topological Polar Surface Area	50.44
Polarizability	18.61
Ring Count	1
Rotatable Bond Count	2

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