5-(4-aminophenoxymethyl)furan-2-carboxylic acid

5-(4-aminophenoxymethyl)furan-2-carboxylic acid

CAS: 1184060-24-9

Formula: C12H11NO4

SMILES: NC1=CC=C(OCC2=CC=C(O2)C(O)=O)C=C1

IUPAC: 5-[(4-aminophenoxy)methyl]furan-2-carboxylic acid

InChI: InChI=1S/C12H11NO4/c13-8-1-3-9(4-2-8)16-7-10-5-6-11(17-10)12(14)15/h1-6H,7,13H2,(H,14,15)

Composition: C (61.80%), H (4.75%), N (6.01%), O (27.44%)

Molar Mass: 233.223

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	233.068807838
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	GMOGYQWSWHXFLU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.36
Topological Polar Surface Area	85.69
Polarizability	22.83
Ring Count	2
Rotatable Bond Count	4

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