CAS: 4442-54-0
الاسم: 2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
SMILES:
C1COC2=C(O1)C=CC(=C2)C(=O)OMolecular Processing
Molecular formula
C9H8O4
Molecular weight
180.16
Exact mass
180.0423
XLogP
1.16
TPSA
55.76
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
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
0.222
Molar refractivity
44.39
Supplementary Information
InChIKey: JWZQJTGQFHIRFQ-UHFFFAOYSA-N
مرادفات
1,4-Benzodioxane-6-carboxylic acidRefChem:416360628-523-54442-54-02,3-dihydro-1,4-benzodioxine-6-carboxylic acid2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid3,4-(Ethylenedioxy)benzoic acidMFCD004635093,4-ethylenedioxybenzoic acidCHEMBL2360292H,3H-benzo[e]1,4-dioxane-6-carboxylic acidF0346-18551,4-benzodioxin-6-carboxylic acid, 2,3-dihydro-MLS0005513112,3-Dihydro-1,4-benzodioxin-6-carboxylic acid2,3-Dihydro-1,4-benzodioxine-6-carboxylicacid2,3-Dihydrobenzo[1,4]dioxine-6-carboxylic acid1,4-BENZODIOXAN-6-CARBOXYLIC ACIDChemDiv1_000021Oprea1_263507Oprea1_707194SCHEMBL619634HMS587A21DTXSID00374511benzoic acid, 3,4-ethylenedioxy-HMS2156G06HMS3316C04SMSSF-0046902BDBM50371170
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