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methyl 2-(6,7-dimethoxy-1H-indol-3-yl)acetate

methyl 2-(6,7-dimethoxy-1H-indol-3-yl)acetate

CAS: 908003-80-5

Formula: C13H15NO4

SMILES: COC(=O)CC1=CNC2=C(OC)C(OC)=CC=C12

IUPAC: methyl 2-(6,7-dimethoxy-1H-indol-3-yl)acetate

InChI: InChI=1S/C13H15NO4/c1-16-10-5-4-9-8(6-11(15)17-2)7-14-12(9)13(10)18-3/h4-5,7,14H,6H2,1-3H3

Composition: C (62.64%), H (6.07%), N (5.62%), O (25.67%)

Molar Mass: 249.266

Atom Count: 33

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 249.100107967
Formal Charge 0
FSP3 0.31
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey TUWWXGSJJVKHRM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.15
Topological Polar Surface Area 60.55
Polarizability 26.86
Ring Count 2
Rotatable Bond Count 5

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