Mrv1572004191601332D          

  5  3  0  0  0  0            999 V2000
   -0.8250   -1.4289    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
  5  2  2  0  0  0  0
  5  3  1  0  0  0  0
  5  4  1  0  0  0  0
M  CHG  3   1   2   3  -1   4  -1
M  END
> <DATABASE_ID>
CHEM004971

> <DATABASE_NAME>
chemdb

> <SMILES>
[Ca++].[O-][Si]([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/Ca.O3Si/c;1-4(2)3/q+2;-2

> <INCHI_KEY>
OYACROKNLOSFPA-UHFFFAOYSA-N

> <FORMULA>
CaO3Si

> <MOLECULAR_WEIGHT>
116.16

> <EXACT_MASS>
115.9242613

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
4.217826221245687

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
calcium oxosilanebis(olate)

> <ALOGPS_LOGP>
0.23

> <JCHEM_LOGP>
-1.3787999999999996

> <ALOGPS_LOGS>
-0.01

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.301029995663981

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.6989700043360183

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
4.3287

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.65e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
calcium oxosilanebis(olate)

> <JCHEM_VEBER_RULE>
0

> <NAME>
CALCIUM SILICATE

> <CAS>
1344-95-2

> <SYNONYMS>
1,2-Ethanediamine, N1-[3-(trimethoxysilyl)propyl]-, hydrolysis products with wollastonite (Ca(SiO3)); Calcium metasilicate; Silane, (3-chloropropyl)trimethoxy-, reaction products with wollastonite (Ca(SiO3)); Silane, ethenyltriethoxy-, reaction products with wollastonite (Ca(SiO3)); Silicic acid (H2SiO3), calcium salt (1:1); Silicic acid, calcium salt; Wollastonite

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