C1=C(C=C(C=C1O)O)C=O
CAS: 26153-38-8
Name: 3,5-dihydroxybenzaldehyde
SMILES: C1=C(C=C(C=C1O)O)C=O

Molecular Processing

Molecular formula
C7H6O3
Molecular weight
138.12
Exact mass
138.0317
XLogP
0.91
TPSA
57.53
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
35.16

Supplementary Information

InChIKey: HAQLHRYUDBKTJG-UHFFFAOYSA-N
Synonyme
3,5-Dihydroxybenzaldehyde26153-38-8Benzaldehyde, 3,5-dihydroxy-EINECS 247-479-4.alpha.-Resorcylic aldehydeCHEBI:50204DTXSID60180776RefChem:91543alpha-Resorcylic aldehydeDTXCID00103267247-479-4HAQLHRYUDBKTJG-UHFFFAOYSA-NInChI=1/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10MFCD000166113,5-dihydroxy benzaldehydeALPHA-RESORCYLALDEHYDEP9FU6Z2MAA3,5-dihydroxy-benzaldehydeOthers Impurity _x000D_SCHEMBL37131orb1694131SCHEMBL30196323,5-Dihydroxybenzaldehyde, 98%3,5-dihydroxybenzaldehyde_x000D_(Discontinued,See C4X-118355)SBB063018AKOS005258327AB01206AC-5752CS-W007416
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