3-(4-aminophenyl)prop-2-yn-1-ol

3-(4-aminophenyl)prop-2-yn-1-ol

CAS: 253167-82-7

Formula: C9H9NO

SMILES: NC1=CC=C(C=C1)C#CCO

IUPAC: 3-(4-aminophenyl)prop-2-yn-1-ol

InChI: InChI=1S/C9H9NO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,7,10H2

Composition: C (73.45%), H (6.16%), N (9.52%), O (10.87%)

Molar Mass: 147.177

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	147.068413914
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	XANNFDGZXZOZCG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.21
Topological Polar Surface Area	46.25
Polarizability	16.5
Ring Count	1
Rotatable Bond Count	2

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