O=C(O)c1cccc2[nH]ccc12
CAS: 2124-55-2
Name: 1H-indole-4-carboxylic acid
SMILES: O=C(O)c1cccc2[nH]ccc12

Molecular Processing

Molecular formula
C9H7NO2
Molecular weight
161.16
Exact mass
161.0477
XLogP
1.87
TPSA
53.09
H-bond donors
2
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
45.26

Supplementary Information

InChIKey: ROGHUJUFCRFUSO-UHFFFAOYSA-N
Synonyme
Indole-4-carboxylic acid2124-55-2DTXSID60344230RefChem:790971DTXCID70295305621-279-01H-Indole-4-carboxylic acidIndole-4-Carboxylicacid4-Carboxyindole1h-4-indolecarboxylic acidMFCD000097394-indole-carboxylic acidindol-4-yl carboxylic acidSCHEMBL402574-INDOLECARBOXYLIC ACIDSCHEMBL44915261H-Indole-4-carboxylic acid #CHEMBL2018157SCHEMBL18109240SCHEMBL20562764SCHEMBL29684913Indole-4-carboxylic acid, 98%ALBB-006377STK503878AKOS000265423AC-3145CS-W001502EBC-152164FI56785FS-2355
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