CAS: 4890-01-1
이름: 6-hydroxy-1,3-benzodioxole-5-carboxylic acid
SMILES:
C1OC2=C(O1)C=C(C(=C2)C(=O)O)OMolecular Processing
Molecular formula
C8H6O5
Molecular weight
182.13
Exact mass
182.0215
XLogP
0.82
TPSA
75.99
H-bond donors
2
H-bond acceptors
4
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
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
41.19
Supplementary Information
InChIKey: ZTARHDAAHPNGMF-UHFFFAOYSA-N
동의어
4890-01-16-Hydroxy-1,3-dioxaindane-5-carboxylic acidRefChem:543334844-997-86-hydroxy-2H-1,3-benzodioxole-5-carboxylic acid6-Hydroxybenzo[d][1,3]dioxole-5-carboxylic Acid6-hydroxy-1,3-benzodioxole-5-carboxylic acidMFCD112036084,5-Methylenedioxysalicylic acidSCHEMBL5391668SCHEMBL29828929ZTARHDAAHPNGMF-UHFFFAOYSA-NAKOS0092778812-hydroxy-4,5-methylenedioxybenzoic acidSY178366DB-140699CS-0249704EN300-44920G838626-hydroxy-1,3-benzodioxole-5-carbonsäure6-hydroxy-2H-1,3-benzodioxole-5-carboxylicacidAB01006748-01F664198Z367679216
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