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methyl 3-(quinolin-6-yl)propanoate

methyl 3-(quinolin-6-yl)propanoate

Formula: C13H13NO2

SMILES: COC(=O)CCC1=CC2=CC=CN=C2C=C1

IUPAC: methyl 3-(quinolin-6-yl)propanoate

InChI: InChI=1S/C13H13NO2/c1-16-13(15)7-5-10-4-6-12-11(9-10)3-2-8-14-12/h2-4,6,8-9H,5,7H2,1H3

Composition: C (72.54%), H (6.09%), N (6.51%), O (14.87%)

Molar Mass: 215.252

Atom Count: 29

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 215.094628663
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey BMCWTVAUAXCRNS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.66
Topological Polar Surface Area 39.19
Polarizability 25.09
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula UnitPrice
98% <10 Days C13H13NO2 Quote Only