Название: 5-methoxycarbonylthiophene-2-carboxylate
SMILES:
COC(=O)C1=CC=C(S1)C(=O)[O-]Molecular Processing
Molecular formula
C7H5O4S-
Molecular weight
185.18
Exact mass
184.9914
XLogP
-0.1
TPSA
66.43
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
39.99
Supplementary Information
InChIKey: HYHZGBOWRWIEGW-UHFFFAOYSA-M
Синонимы
2,5-Thiophenedicarboxylic acid, monomethyl esterHYHZGBOWRWIEGW-UHFFFAOYSA-Mmethyl thiophen-2,5-dicarboxylateAKOS028108790
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