6-amino-1H-indole-4-carboxylic acid

6-amino-1H-indole-4-carboxylic acid

CAS: 885520-34-3

Formula: C9H8N2O2

SMILES: NC1=CC(C(O)=O)=C2C=CNC2=C1

IUPAC: 6-amino-1H-indole-4-carboxylic acid

InChI: InChI=1S/C9H8N2O2/c10-5-3-7(9(12)13)6-1-2-11-8(6)4-5/h1-4,11H,10H2,(H,12,13)

Composition: C (61.36%), H (4.58%), N (15.90%), O (18.16%)

Molar Mass: 176.175

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	176.058577506
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	KQTOTRDWHQRKJC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.1
Topological Polar Surface Area	79.11
Polarizability	18.99
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	885520-34-3		$40.35-$176.54$40.35$66.83$176.54