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methyl 3-formyl-1H-indole-4-carboxylate

methyl 3-formyl-1H-indole-4-carboxylate

CAS: 53462-88-7

Formula: C11H9NO3

SMILES: COC(=O)C1=C2C(NC=C2C=O)=CC=C1

IUPAC: methyl 3-formyl-1H-indole-4-carboxylate

InChI: InChI=1S/C11H9NO3/c1-15-11(14)8-3-2-4-9-10(8)7(6-13)5-12-9/h2-6,12H,1H3

Composition: C (65.02%), H (4.46%), N (6.89%), O (23.62%)

Molar Mass: 203.197

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 203.058243154
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HWQJAOMFBDZMPB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.75
Topological Polar Surface Area 59.16
Polarizability 21.86
Ring Count 2
Rotatable Bond Count 3

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