C1=CC=C2C(=C1)C(=O)C(C2=O)(O)O
CAS: 485-47-2
Name: 2,2-dihydroxyindene-1,3-dione
SMILES: C1=CC=C2C(=C1)C(=O)C(C2=O)(O)O

Molecular Processing

Molecular formula
C9H6O4
Molecular weight
178.14
Exact mass
178.0266
XLogP
-0.25
TPSA
74.6
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
0
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
0.111
Molar refractivity
42.27

Supplementary Information

InChIKey: FEMOMIGRRWSMCU-UHFFFAOYSA-N
Synonyme
NINHYDRIN485-47-2Ninhydrin hydrate1,2,3-Indantrione monohydrate2,2-Dihydroxy-1H-indene-1,3(2H)-dione1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-Triketohydrindene hydrate2,2-Dihydroxy-1,3-indandione2,2-Dihydroxy-1,3-indanedione1,2,3-Indantrione, 2-hydrateDTXSID70257161,3-Indandione, 2,2-dihydroxy-HCL6S9K23ADTXCID605716CHEBI:86374Indantrione MonohydrateMonohydrate, IndantrioneRefChem:854157207-618-1Ninhydrine2,2-Dihydroxyindane-1,3-dione2,2-dihydroxyindene-1,3-dioneNinhydrin Spray2,2-dihydroxy-2,3-dihydro-1H-indene-1,3-dioneTrioxohydrindene monohydrateMFCD000037912,2-Dihydroxy-1,3-dioxoindanCHEMBL1221925CCRIS 4849EINECS 207-618-1
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