CAS: 94-53-1
이름: 1,3-benzodioxole-5-carboxylic acid
SMILES:
C1OC2=C(O1)C=C(C=C2)C(=O)OMolecular Processing
Molecular formula
C8H6O4
Molecular weight
166.13
Exact mass
166.0266
XLogP
1.11
TPSA
55.76
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
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
0.125
Molar refractivity
39.52
Supplementary Information
InChIKey: VDVJGIYXDVPQLP-UHFFFAOYSA-N
동의어
PIPERONYLIC ACID94-53-11,3-Benzodioxole-5-carboxylic acidHeliotropic acid2H-1,3-Benzodioxole-5-Carboxylic Acid3,4-(Methylenedioxy)benzoic acidProtocatechuic acid methylene ether5-Benzodioxolecarboxylic acid3,4-Dioxymethylenebenzoic acidQX3V1NO0KHNSC-10072DTXSID6059104CHEBI:107644RefChem:863626DTXCID7048902202-342-8Benzo[d][1,3]dioxole-5-carboxylic acid3,4-Methylenedioxybenzoic acidMFCD00005830benzo[1,3]dioxole-5-carboxylic acid3,4-Methylene dioxybenzoic acidBenzoic acid, 3,4-(methylenedioxy)-1,3-dioxaindane-5-carboxylic acidPIPERONYLIC ACID-2,2-D2NSC 100722H-benzo[d]1,3-dioxolene-5-carboxylic acidEINECS 202-342-8UNII-QX3V1NO0KHpiperonylsaureAI3-05972
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