Mrv0541 02241205192D          

  5  4  0  0  0  0            999 V2000
    2.4750   -1.4289    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cr  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  3  0  0  0  0
M  END
> <DATABASE_ID>
T3D1430

> <DATABASE_NAME>
t3db

> <SMILES>
[Cr]#C[Cr]C#[Cr]

> <INCHI_IDENTIFIER>
InChI=1S/2C.3Cr

> <INCHI_KEY>
UFGZSIPAQKLCGR-UHFFFAOYSA-N

> <FORMULA>
C2Cr3

> <MOLECULAR_WEIGHT>
180.0097

> <EXACT_MASS>
179.821535712

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
12.534794047663102

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(chromiumylidynemethyl)chromio]methylidyne}chromium

> <ALOGPS_LOGP>
-0.78

> <JCHEM_LOGP>
-0.6684000000000001

> <ALOGPS_LOGS>
-1.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
7.9112

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.71e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chromium carbide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1430

> <NAME>
Chromium carbide

> <CAS>
12012-35-0

> <SYNONYMS>
Chromic carbide

> <TYPES>
Inorganic Compound; Organic Compound; Chromium Compound; Organometallic; Pollutant; Industrial/Workplace Toxin; Natural Compound

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