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5-(hydroxymethyl)-2,3-dihydroisoindol-1-one

5-(hydroxymethyl)-2,3-dihydroisoindol-1-one

CAS: 926307-97-3

Formula: C9H9NO2

SMILES: OCC1=CC2=C(C=C1)C(=O)NC2

IUPAC: 5-(hydroxymethyl)-2,3-dihydro-1H-isoindol-1-one

InChI: InChI=1S/C9H9NO2/c11-5-6-1-2-8-7(3-6)4-10-9(8)12/h1-3,11H,4-5H2,(H,10,12)

Composition: C (66.25%), H (5.56%), N (8.58%), O (19.61%)

Molar Mass: 163.176

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 163.063328534
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey SCSGVDRDPKNSIW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.4
Topological Polar Surface Area 49.33
Polarizability 16.73
Ring Count 2
Rotatable Bond Count 1

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