5-(phenoxymethyl)furan-2-carboxylic acid

5-(phenoxymethyl)furan-2-carboxylic acid

CAS: 91368-74-0

Formula: C12H10O4

SMILES: OC(=O)C1=CC=C(COC2=CC=CC=C2)O1

IUPAC: 5-(phenoxymethyl)furan-2-carboxylic acid

InChI: InChI=1S/C12H10O4/c13-12(14)11-7-6-10(16-11)8-15-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,14)

Composition: C (66.05%), H (4.62%), O (29.33%)

Molar Mass: 218.208

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	218.057908802
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KPSLIMYRDNBEGK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.66
Topological Polar Surface Area	59.67
Polarizability	21.67
Ring Count	2
Rotatable Bond Count	4

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