4-amino-1H-indole-2-carboxylic acid

4-amino-1H-indole-2-carboxylic acid

CAS: 933721-48-3

Formula: C9H8N2O2

SMILES: NC1=C2C=C(NC2=CC=C1)C(O)=O

IUPAC: 4-amino-1H-indole-2-carboxylic acid

InChI: InChI=1S/C9H8N2O2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/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	DSFRMPSXOZOMCJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.98
Topological Polar Surface Area	79.11
Polarizability	19
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	933721-48-3		$117.27-$590.15$117.27$230.76$590.15