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Basic Information
CAS No.: 11031-48-4
Name: Sarkomycin
Molecular Structure:
Molecular Structure of 11031-48-4 (Sarkomycin)
Formula: C7H8O3
Molecular Weight: 140.15
Synonyms: Sarcomycin(8CI)
Density: 1.23g/cm3
Boiling Point: 320.3°Cat760mmHg
Flash Point: 161.8°C
Safety: Moderately toxic by intravenous, subcutaneous, and intraperitoneal routes. Mildly toxic by ingestion. Experimental teratogenic and reproductive effects. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. Used as an antibiotic. When heated to decomposition it emits acrid smoke and irritating fumes.
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Chemistry

Molecule structure of Sarkomycin (CAS NO.11031-48-4) :

IUPAC Name: (1S)-2-methylidene-3-oxocyclopentane-1-carboxylic acid 
Molecular Weight: 140.13662 g/mol
Molecular Formula: C7H8O3 
Density: 1.23 g/cm3 
Boiling Point: 320.3 °C at 760 mmHg 
Flash Point: 161.8 °C
Index of Refraction: 1.506
Molar Refractivity: 33.69 cm3
Molar Volume: 113.3 cm3
Polarizability: 13.35×10-24 cm3
Surface Tension: 43.6 dyne/cm 
Enthalpy of Vaporization: 61.79 kJ/mol
Vapour Pressure: 6.65E-05 mmHg at 25 °C
XLogP3-AA: 0.2
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 140.047344
MonoIsotopic Mass: 140.047344
Topological Polar Surface Area: 54.4
Heavy Atom Count: 10
Complexity: 205
Defined Atom StereoCenter Count: 1
Canonical SMILES: C=C1C(CCC1=O)C(=O)O
Isomeric SMILES: C=C1[C@H](CCC1=O)C(=O)O
InChI: InChI=1S/C7H8O3/c1-4-5(7(9)10)2-3-6(4)8/h5H,1-3H2,(H,9,10)/t5-/m0/s1
InChIKey of Sarkomycin (CAS NO.11031-48-4) : ILFPCMXTASDZKM-YFKPBYRVSA-N

Toxicity Data With Reference

1.    

mmo-eug 10 µg/L

     NEOLA4    Neoplasma. 19 (1972),579.
2.    

dni-eug 10 µg/L

     NEOLA4    Neoplasma. 19 (1972),579.
3.    

orl-mus LD50:5600 mg/kg

     85ERAY    Antibiotics: Origin, Nature, and Properties. 2 (1978),1261.
4.    

ipr-mus LDLo:700 mg/kg

     TDKNAF    Takeda Kenkyusho Nempo. Annual Report of the Takeda Research Laboratories. 14 (1955),60.
5.    

scu-mus LD50:600 mg/kg

     85ERAY    Antibiotics: Origin, Nature, and Properties. 2 (1978),1261.
6.    

ivn-mus LD50:1200 mg/kg

     85ERAY    Antibiotics: Origin, Nature, and Properties. 2 (1978),1261.

Safety Profile

Moderately toxic by intravenous, subcutaneous, and intraperitoneal routes. Mildly toxic by ingestion. Experimental teratogenic and reproductive effects. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. Used as an antibiotic. When heated to decomposition it emits acrid smoke and irritating fumes.