CAS: 20825-87-0
Название: ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
SMILES:
CCOC(=O)C1=CC2=C(C=C1)OCCO2Molecular Processing
Molecular formula
C11H12O4
Molecular weight
208.21
Exact mass
208.0736
XLogP
1.63
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
15
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
0.364
Molar refractivity
53.39
Supplementary Information
InChIKey: LIQWCKWRILLHAQ-UHFFFAOYSA-N
Синонимы
20825-87-0ethyl 2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylateethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid ethyl ester1,4-Benzodioxin-6-carboxylic acid, 2,3-dihydro-, ethyl esterMFCD06204332Ethyl2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylateSCHEMBL1464834DTXSID70586482LIQWCKWRILLHAQ-UHFFFAOYSA-NAKOS003063688SY308725CS-0163918H84862Z548484472,3-dihydro-benzo[1,4]dioxin-6-carboxylic acid ethyl esterEthyl 2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylate (Erlotinib Impurity pound(c)
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