5-[(diethylamino)methyl]furan-3-carboxylic acid

5-[(diethylamino)methyl]furan-3-carboxylic acid

CAS: 296273-59-1

Formula: C10H15NO3

SMILES: CCN(CC)CC1=CC(=CO1)C(O)=O

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

InChI: InChI=1S/C10H15NO3/c1-3-11(4-2)6-9-5-8(7-14-9)10(12)13/h5,7H,3-4,6H2,1-2H3,(H,12,13)

Composition: C (60.90%), H (7.67%), N (7.10%), O (24.34%)

Molar Mass: 197.234

Atom Count: 29

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	197.105193347
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OZEIPEKRWRKJII-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.75
Topological Polar Surface Area	53.68
Polarizability	20.28
Ring Count	1
Rotatable Bond Count	5

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