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Search term: BXCQGSQPWPGFIV
Found by InChIKey (skeleton match)
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Inherent Properties, Identifiers and References
ChemSpider ID: 23412
Empirical Formula: C8H2Co2O8
Molecular Weight: 343.9631
Nominal Mass: 344 Da
Average Mass: 343.9631 Da
Monoisotopic Mass: 343.841367 Da
Quick Links: Permalink Similar Isomers
Systematic Name: cobaltous; carbon monoxide; cobalt; methanone
SMILES: [Co].[Co+2].[O+]#[C-].[O+]#[C-].O=[CH-].[O+]#[C-].[O+]#[C-].[O+]#​[C-].[O+]#[C-].O=[CH-]
InChI: InChI=1/2CHO.6CO.2Co/c8*1-2;;/h2*1H;;;;;;;;/q2*-1;;;;;;;;+2
InChIKey: BXCQGSQPWPGFIV-UHFFFAOYAT
Associated Data Sources and Commercial Suppliers
Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

10210-68-1 [RN]

12553-61-6 [RN]

14525-26-9 [RN]

19998-88-0 [RN]

233-514-0 [EINECS/ELINCS]

24917-04-2 [RN]

90043-99-5 [RN]

Cobalt ca​rbonyl

Cobalt ca​rbonyl (C​o2(CO)8)

Cobalt oc​tacarbonyl

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Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

(Details...) Predicted Properties
LogP: ACD/LogP: 0.35
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 0.35 ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 5.5): 1.09 ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 5.5): 36.93 ACD/KOC (pH 7.4): 36.93
#H bond acceptors: 1 #H bond donors: 0
#Freely Rotating Bonds: 0 Polar Surface Area: 17.07 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: °C Enthalpy of Vaporization: 22.31 kJ/mol
Boiling Point: °C at 760 mmHg Vapour Pressure: 3460 mmHg at 25°C
(Details...) Feedback
DateSeverityStatusFeedback
5/1/2008 1:02:27 PMExtremeNewThis structure should be deprecated. The structure is abysmal