2-[(diethylamino)methyl]-5-phenylfuran-3-carboxylic acid

2-[(diethylamino)methyl]-5-phenylfuran-3-carboxylic acid

CAS: 430460-31-4

Formula: C16H19NO3

SMILES: CCN(CC)CC1=C(C=C(O1)C1=CC=CC=C1)C(O)=O

IUPAC: 2-[(diethylamino)methyl]-5-phenylfuran-3-carboxylic acid

InChI: InChI=1S/C16H19NO3/c1-3-17(4-2)11-15-13(16(18)19)10-14(20-15)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,18,19)

Composition: C (70.31%), H (7.01%), N (5.12%), O (17.56%)

Molar Mass: 273.332

Atom Count: 39

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	273.136493476
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HKHTZGVVVJKHIW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.76
Topological Polar Surface Area	53.68
Polarizability	31.21
Ring Count	2
Rotatable Bond Count	6

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