methyl 1-oxo-2,3-dihydroisoindole-5-carboxylate

methyl 1-oxo-2,3-dihydroisoindole-5-carboxylate

CAS: 926307-72-4

Formula: C10H9NO3

SMILES: COC(=O)C1=CC2=C(C=C1)C(=O)NC2

IUPAC: methyl 1-oxo-2,3-dihydro-1H-isoindole-5-carboxylate

InChI: InChI=1S/C10H9NO3/c1-14-10(13)6-2-3-8-7(4-6)5-11-9(8)12/h2-4H,5H2,1H3,(H,11,12)

Composition: C (62.82%), H (4.75%), N (7.33%), O (25.10%)

Molar Mass: 191.186

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	191.058243154
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	UPFFKPZXJRBTDT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.61
Topological Polar Surface Area	55.4
Polarizability	18.73
Ring Count	2
Rotatable Bond Count	2

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99.28%	<7 Days	926307-72-4		$16.83-$686.29$16.83$34.60$137.45$686.29