5-(3-methoxyphenoxymethyl)furan-2-carboxylic acid

5-(3-methoxyphenoxymethyl)furan-2-carboxylic acid

CAS: 405897-57-6

Formula: C13H12O5

SMILES: COC1=CC=CC(OCC2=CC=C(O2)C(O)=O)=C1

IUPAC: 5-[(3-methoxyphenoxy)methyl]furan-2-carboxylic acid

InChI: InChI=1S/C13H12O5/c1-16-9-3-2-4-10(7-9)17-8-11-5-6-12(18-11)13(14)15/h2-7H,8H2,1H3,(H,14,15)

Composition: C (62.90%), H (4.87%), O (32.23%)

Molar Mass: 248.234

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	248.068473486
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	BTJZFEPNCDYRKU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.12
Topological Polar Surface Area	68.9
Polarizability	24.22
Ring Count	2
Rotatable Bond Count	5

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