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tert-butyl 5-(hydroxymethyl)-1,3-dihydroisoindole-2-carboxylate

tert-butyl 5-(hydroxymethyl)-1,3-dihydroisoindole-2-carboxylate

CAS: 253801-14-8

Formula: C14H19NO3

SMILES: CC(C)(C)OC(=O)N1CC2=C(C1)C=C(CO)C=C2

IUPAC: tert-butyl 5-(hydroxymethyl)-2,3-dihydro-1H-isoindole-2-carboxylate

InChI: InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-7-11-5-4-10(9-16)6-12(11)8-15/h4-6,16H,7-9H2,1-3H3

Composition: C (67.45%), H (7.68%), N (5.62%), O (19.25%)

Molar Mass: 249.31

Atom Count: 37

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 249.136493476
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey AELZVPRONRWNRQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.67
Topological Polar Surface Area 49.77
Polarizability 26.84
Ring Count 2
Rotatable Bond Count 3

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