C1CC2=C(C(=O)C1)C(=CN2)C(=O)O
CAS: 168271-91-8
Name: 4-oxo-1,5,6,7-tetrahydroindole-3-carboxylic acid
SMILES: C1CC2=C(C(=O)C1)C(=CN2)C(=O)O

Molecular Processing

Molecular formula
C9H9NO3
Molecular weight
179.17
Exact mass
179.0582
XLogP
1.23
TPSA
70.16
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
45.02

Supplementary Information

InChIKey: IOPXFUALWUTZQK-UHFFFAOYSA-N
Synonyme
168271-91-84-OXO-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBOXYLIC ACID4-OXO-1,5,6,7-TETRAHYDROINDOLE-3-CARBOXYLIC ACIDMFCD11044063SCHEMBL1663484DTXSID80571703IOPXFUALWUTZQK-UHFFFAOYSA-N4-OXO-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBOXYLICACIDAKOS006309162DA-22019CS-0376874H41129
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