tert-butyl 5-formyl-2,3-dihydroindole-1-carboxylate

tert-butyl 5-formyl-2,3-dihydroindole-1-carboxylate

CAS: 879887-32-8

Formula: C14H17NO3

SMILES: CC(C)(C)OC(=O)N1CCC2=C1C=CC(C=O)=C2

IUPAC: tert-butyl 5-formyl-2,3-dihydro-1H-indole-1-carboxylate

InChI: InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)15-7-6-11-8-10(9-16)4-5-12(11)15/h4-5,8-9H,6-7H2,1-3H3

Composition: C (68.00%), H (6.93%), N (5.66%), O (19.41%)

Molar Mass: 247.294

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	247.120843411
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	BXALJGGFHGKPIM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.36
Topological Polar Surface Area	46.61
Polarizability	26.27
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	879887-32-8		$50.49-$2,057.00$50.49$116.88$561.00$935.00$2,057.00