CAS: 50820-65-0
名称: methyl 1H-indole-6-carboxylate
SMILES:
COC(=O)C1=CC2=C(C=C1)C=CN2Molecular Processing
Molecular formula
C10H9NO2
Molecular weight
175.19
Exact mass
175.0633
XLogP
1.95
TPSA
42.09
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
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
0.1
Molar refractivity
49.64
Supplementary Information
InChIKey: AYYOZKHMSABVRP-UHFFFAOYSA-N
同義語
Methyl indole-6-carboxylate50820-65-0Indole-6-carboxylic acid methyl esterDTXSID80348674RefChem:817801DTXCID10299746610-576-0methyl 1H-indole-6-carboxylate1H-indole-6-carboxylic acid, methyl esterMFCD002110631H-indole-6-carboxylic acid methyl ester6-methoxycarbonylindoleIndole-7-carboxylate6-carbomethoxyindoleIndole-6-carboxylateA1COXmethyl 6-indolecarboxylatemethyl indole-6carboxylatemethyl-6-indolecarboxylatemethyl-indole-6-caroxylatemethyl-indole-6-carboxylateSCHEMBL145507Methyl-(indol-6-yl)methanoateorb3031550SCHEMBL4243309SCHEMBL6959026CHEMBL4212523SCHEMBL30201504BDBM93021AYYOZKHMSABVRP-UHFFFAOYSA-N
205 件の反応に参加→