3-(5-methylfuran-2-yl)propanoic acid

3-(5-methylfuran-2-yl)propanoic acid

CAS: 1456-08-2

Formula: C8H10O3

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

IUPAC: 3-(5-methylfuran-2-yl)propanoic acid

InChI: InChI=1S/C8H10O3/c1-6-2-3-7(11-6)4-5-8(9)10/h2-3H,4-5H2,1H3,(H,9,10)

Composition: C (62.33%), H (6.54%), O (31.13%)

Molar Mass: 154.165

Atom Count: 21

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	154.062994182
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	IGKLZYYMKYWZRS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.66
Topological Polar Surface Area	50.44
Polarizability	15.04
Ring Count	1
Rotatable Bond Count	3

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