Text Search
Structure Search

1-methyl-2-oxo-3H-indole-6-carboxylic acid

1-methyl-2-oxo-3H-indole-6-carboxylic acid

CAS: 138328-27-5

Formula: C10H9NO3

SMILES: CN1C(=O)CC2=CC=C(C=C12)C(O)=O

IUPAC: 1-methyl-2-oxo-2,3-dihydro-1H-indole-6-carboxylic acid

InChI: InChI=1S/C10H9NO3/c1-11-8-4-7(10(13)14)3-2-6(8)5-9(11)12/h2-4H,5H2,1H3,(H,13,14)

Composition: C (62.82%), H (4.75%), N (7.33%), O (25.10%)

Molar Mass: 191.186

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 191.058243154
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey SXEPPYTUCBLQGT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.96
Topological Polar Surface Area 57.61
Polarizability 18.69
Ring Count 2
Rotatable Bond Count 1

Suppliers

No suppliers are currently stocking this item.