1-(2H-1,3-benzodioxol-5-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

1-(2H-1,3-benzodioxol-5-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

CAS: 82789-26-2

Formula: C19H16N2O4

SMILES: OC(=O)C1CC2=C(NC3=CC=CC=C23)C(N1)C1=CC2=C(OCO2)C=C1

IUPAC: 1-(2H-1,3-benzodioxol-5-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

InChI: InChI=1/C19H16N2O4/c22-19(23)14-8-12-11-3-1-2-4-13(11)20-18(12)17(21-14)10-5-6-15-16(7-10)25-9-24-15/h1-7,14,17,20-21H,8-9H2,(H,22,23)

Composition: C (67.85%), H (4.80%), N (8.33%), O (19.03%)

Molar Mass: 336.347

Atom Count: 41

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	336.111007003
Formal Charge	0
FSP3	0.21
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	MDXJJOKTGDJRNN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.46
Topological Polar Surface Area	83.58
Polarizability	36.25
Ring Count	5
Rotatable Bond Count	2

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95%	<2 Days	82789-26-2		$604.27$604.27