tert-butyl 4-hydroxy-1,3-dihydroisoindole-2-carboxylate

tert-butyl 4-hydroxy-1,3-dihydroisoindole-2-carboxylate

CAS: 871013-92-2

Formula: C13H17NO3

SMILES: CC(C)(C)OC(=O)N1CC2=CC=CC(O)=C2C1

IUPAC: tert-butyl 4-hydroxy-2,3-dihydro-1H-isoindole-2-carboxylate

InChI: InChI=1S/C13H17NO3/c1-13(2,3)17-12(16)14-7-9-5-4-6-11(15)10(9)8-14/h4-6,15H,7-8H2,1-3H3

Composition: C (66.36%), H (7.28%), N (5.95%), O (20.40%)

Molar Mass: 235.283

Atom Count: 34

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	235.120843411
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KAWGDHUTSZFFIP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.84
Topological Polar Surface Area	49.77
Polarizability	25
Ring Count	2
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
99.21%	<7 Days	871013-92-2		$10.29-$457.22$10.29$23.38$91.63$457.22