1-(4-aminophenyl)propane-1,2,3-triol

1-(4-aminophenyl)propane-1,2,3-triol

CAS: 695191-72-1

Formula: C9H13NO3

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

IUPAC: 1-(4-aminophenyl)propane-1,2,3-triol

InChI: InChI=1/C9H13NO3/c10-7-3-1-6(2-4-7)9(13)8(12)5-11/h1-4,8-9,11-13H,5,10H2

Composition: C (59.00%), H (7.15%), N (7.65%), O (26.20%)

Molar Mass: 183.207

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	183.089543283
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
InChIKey	KKWRDXHQCFVSDH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.5
Topological Polar Surface Area	86.71
Polarizability	18.87
Ring Count	1
Rotatable Bond Count	3

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