2,3-dihydro-1H-isoindole-1-carboxylic acid

2,3-dihydro-1H-isoindole-1-carboxylic acid

CAS: 66938-02-1

Formula: C9H9NO2

SMILES: OC(=O)C1NCC2=CC=CC=C12

IUPAC: 2,3-dihydro-1H-isoindole-1-carboxylic acid

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

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	1
Exact Mass	163.063328534
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	OFKFBEJYOHXPIA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.69
Topological Polar Surface Area	49.33
Polarizability	17.15
Ring Count	2
Rotatable Bond Count	1

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