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methyl 2-(2,3-dihydro-1H-isoindol-1-yl)acetate

methyl 2-(2,3-dihydro-1H-isoindol-1-yl)acetate

CAS: 444583-14-6

Formula: C11H13NO2

SMILES: COC(=O)CC1NCC2=C1C=CC=C2

IUPAC: methyl 2-(2,3-dihydro-1H-isoindol-1-yl)acetate

InChI: InChI=1/C11H13NO2/c1-14-11(13)6-10-9-5-3-2-4-8(9)7-12-10/h2-5,10,12H,6-7H2,1H3

Composition: C (69.09%), H (6.85%), N (7.32%), O (16.73%)

Molar Mass: 191.23

Atom Count: 27

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 191.094628663
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey UKJHXIGPZLFOCH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.08
Topological Polar Surface Area 38.33
Polarizability 21.09
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 444583-14-6 $2,310.00-$3,762.00$2,310.00$3,432.00$3,762.00
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