Datasets:
kanhatakeyama
/
material-properties

Dataset card Viewer Files Community
CompName
stringlengths
3
64
SMILES
stringlengths
1
590
⌀
Property
stringclasses
18 values
Value
float64
-268.93
426k
unit
stringclasses
13 values
Source
stringclasses
1 value
unknown
[S-2].[S-2].[S-2].[S-2].[S-2].[Sb].[Sb]
Density
4.12
[g/cm3]
Wikipedia/Wikidata
unknown
C1CC2=CC=CC=C2C=C1
Refractive index
1.582
[-]
Wikipedia/Wikidata
unknown
CCCCOC(=O)CC
Refractive index
1.4014
[-]
Wikipedia/Wikidata
unknown
Cl[Pd-2](Cl)(Cl)(Cl)(Cl)Cl.[K+].[K+]
Density
2.74
[g/cm3]
Wikipedia/Wikidata
unknown
FC(F)(F)C(=O)CC(=O)C(F)(F)F
Density
1.47
[g/cm3]
Wikipedia/Wikidata
unknown
CC(C)CCBr
Refractive index
1.442
[-]
Wikipedia/Wikidata
unknown
[O-][Ge](=O)[O-].[Na+].[Na+]
Refractive index
1.59
[-]
Wikipedia/Wikidata
unknown
[O-][Ge](=O)[O-].[Na+].[Na+]
Density
3.31
[g/cm3]
Wikipedia/Wikidata
unknown
[Na].[Na].[Na].[Bi]
Density
3.7
[g/cm3]
Wikipedia/Wikidata
unknown
C[C](C)C(=O)OC
Density
1.19
[g/cm3]
Wikipedia/Wikidata
unknown
C1=CC=C(C=C1)C(=O)NCC(=O)O
Density
1.37
[g/cm3]
Wikipedia/Wikidata
unknown
C(CCCCC(=O)O)CCCC(=O)O
Density
1.209
[g/cm3]
Wikipedia/Wikidata
unknown
CC(=O)[O-].CC(=O)[O-].[O-2].[O-2].[U+6]
Density
2.893
[g/cm3]
Wikipedia/Wikidata
unknown
O.O.O.[O-][Sn](=O)[O-].[Na+].[Na+]
Density
3.05
[g/cm3]
Wikipedia/Wikidata
unknown
CC(=O)CCCO
Refractive index
1.439
[-]
Wikipedia/Wikidata
unknown
C(C(CCl)O)Cl
Refractive index
1.4802
[-]
Wikipedia/Wikidata
unknown
B([O-])([O-])[O-].[Na+].[Ca+2]
Density
1.4
[g/cm3]
Wikipedia/Wikidata
unknown
CCCCCCCCCC(=O)[O-].[Na+]
Density
1.4
[g/cm3]
Wikipedia/Wikidata
unknown
F.F.F[Zr](F)(F)F
Density
1.51
[g/cm3]
Wikipedia/Wikidata
unknown
[B]
Density
2.08
[g/cm3]
Wikipedia/Wikidata
unknown
[N]=S
Density
1.056
[g/cm3]
Wikipedia/Wikidata
unknown
C1=C(NC(=O)N=C1)N
Density
1.6
[g/cm3]
Wikipedia/Wikidata
unknown
O=I(=O)OI(=O)=O
Density
4.799
[g/cm3]
Wikipedia/Wikidata
unknown
COC=C(C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)C(=O)OC
Density
1.34
[g/cm3]
Wikipedia/Wikidata
unknown
[O-][As](=O)([O-])[O-].[Na+].[Na+].[Na+]
Density
2.835
[g/cm3]
Wikipedia/Wikidata
unknown
O[As](=O)([O-])[O-].[Na+].[Na+]
Density
1.874
[g/cm3]
Wikipedia/Wikidata
unknown
P#[Mn]
Density
5.39
[g/cm3]
Wikipedia/Wikidata
unknown
CC(=O)OCCC1=CC=CC=C1
Refractive index
1.498
[-]
Wikipedia/Wikidata
unknown
C(C(=CCl)Cl)Cl
Refractive index
1.503
[-]
Wikipedia/Wikidata
unknown
CCC(=O)OCCC(C)C
Refractive index
1.4069
[-]
Wikipedia/Wikidata
unknown
O[As]([O-])[O-].[Na+].[Na+]
Density
1.87
[g/cm3]
Wikipedia/Wikidata
unknown
[Na][Se][Se][Na]
Density
3.3
[g/cm3]
Wikipedia/Wikidata
unknown
[O-]I(=O)(=O)=O.[Na+]
Density
3.865
[g/cm3]
Wikipedia/Wikidata
unknown
OP(=O)([O-])[O-].[Ca+2]
Density
2.929
[g/cm3]
Wikipedia/Wikidata
unknown
C1=CC=C(C=C1)[SiH3]
Density
0.878
[g/cm3]
Wikipedia/Wikidata
unknown
CC(C)(C#N)C(C)(C)C#N
Density
1.07
[g/cm3]
Wikipedia/Wikidata
unknown
F[Zr-2](F)(F)(F)(F)F.[K+].[K+]
Density
3.48
[g/cm3]
Wikipedia/Wikidata
unknown
C1(=NC(=NC(=N1)N)N)N
Density
1.574
[g/cm3]
Wikipedia/Wikidata
unknown
C1(C(C(C(C(C1O)O)O)O)O)O
Density
1.752
[g/cm3]
Wikipedia/Wikidata
unknown
[Li+].[O-][Nb](=O)=O
Density
4.644
[g/cm3]
Wikipedia/Wikidata
unknown
B#[Cr]
Density
6.12
[g/cm3]
Wikipedia/Wikidata