CAS: 1822-66-8
名称: diethyl 3,4-dihydroxythiophene-2,5-dicarboxylate
SMILES:
CCOC(=O)C1=C(C(=C(S1)C(=O)OCC)O)OMolecular Processing
Molecular formula
C10H12O6S
Molecular weight
260.27
Exact mass
260.0355
XLogP
1.51
TPSA
93.06
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
59.56
Supplementary Information
InChIKey: YOKOBAHUBJPMGP-UHFFFAOYSA-N
同義語
3,4-dihydroxy-thiophene-2,5-dicarboxylic acid diethyl esterRefChem:486229623-934-61822-66-8Diethyl 3,4-dihydroxythiophene-2,5-dicarboxylate3,4-Dihydroxythiophene-2,5-dicarboxylic acid diethyl esterMFCD03094035Diethyl 3,4-dihydroxy-thiophene-2,5-dicarboxylateC10H12O6S2,5-THIOPHENEDICARBOXYLIC ACID, 3,4-DIHYDROXY-, 2,5-DIETHYL ESTER2,5-diethyl 3,4-dihydroxythiophene-2,5-dicarboxylate2,5-dicarbethoxy-3,4-dihydroxythiophene3,4-Dihydroxythiophene-2,5-dicarboxylic aciddiethyl esterethyl 5-(ethoxycarbonyl)-3,4-dihydroxythiophene-2-carboxylateNSC575022,5-Thiophenedicarboxylic acid, 3,4-dihydroxy-, diethyl esterDiethyl3,4-dihydroxythiophene-2,5-dicarboxylateSCHEMBL1141274DTXSID80288763YOKOBAHUBJPMGP-UHFFFAOYSA-Ndicarbethoxy-3.4-dihydroxythiopheneNSC-57502SBB059542AKOS015898857AB132983,4-dihydroxy-2,5-dicarbethoxythiopheneAC-25756DS-18408SY106635DB-081732
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