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methyl 2H-isoindole-1-carboxylate

methyl 2H-isoindole-1-carboxylate

CAS: 56365-71-0

Formula: C10H9NO2

SMILES: COC(=O)C1=C2C=CC=CC2=CN1

IUPAC: methyl 2H-isoindole-1-carboxylate

InChI: InChI=1S/C10H9NO2/c1-13-10(12)9-8-5-3-2-4-7(8)6-11-9/h2-6,11H,1H3

Composition: C (68.56%), H (5.18%), N (8.00%), O (18.27%)

Molar Mass: 175.187

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 175.063328534
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey DFJSYGHFZLYJGA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.17
Topological Polar Surface Area 42.09
Polarizability 19.98
Ring Count 2
Rotatable Bond Count 2

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