4-[(3aS,4R,9bR)-6,7-dimethyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl]benzoic acid

4-[(3aS,4R,9bR)-6,7-dimethyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl]benzoic acid

Formula: C21H21NO2

SMILES: CC1=C(C)C2=C(C=C1)[C@@H]1C=CC[C@@H]1[C@@H](N2)C1=CC=C(C=C1)C(O)=O

IUPAC: 4-[(3aS,4R,9bR)-6,7-dimethyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl]benzoic acid

InChI: InChI=1S/C21H21NO2/c1-12-6-11-18-16-4-3-5-17(16)20(22-19(18)13(12)2)14-7-9-15(10-8-14)21(23)24/h3-4,6-11,16-17,20,22H,5H2,1-2H3,(H,23,24)/t16-,17+,20+/m1/s1

Composition: C (78.97%), H (6.63%), N (4.39%), O (10.02%)

Molar Mass: 319.404

Atom Count: 45

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	3
Exact Mass	319.15722892
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PTWQWLFQYBEVEG-UWVAXJGDSA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.72
Topological Polar Surface Area	49.33
Polarizability	36.26
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H21NO2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00