4-(4-aminophenyl)oxane-4-carboxylic acid

4-(4-aminophenyl)oxane-4-carboxylic acid

CAS: 937651-78-0

Formula: C12H15NO3

SMILES: NC1=CC=C(C=C1)C1(CCOCC1)C(O)=O

IUPAC: 4-(4-aminophenyl)oxane-4-carboxylic acid

InChI: InChI=1S/C12H15NO3/c13-10-3-1-9(2-4-10)12(11(14)15)5-7-16-8-6-12/h1-4H,5-8,13H2,(H,14,15)

Composition: C (65.14%), H (6.83%), N (6.33%), O (21.69%)

Molar Mass: 221.256

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	221.105193347
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	DDHQPUFTHQUUFT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.69
Topological Polar Surface Area	72.55
Polarizability	23.01
Ring Count	2
Rotatable Bond Count	2

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