Calcium Monosilicide

CAS: 12013-55-7 · CaSi

2D Structure

Loading 3D structure...

CAS Registry Number

12013-55-7

SMILES

[Ca].[Si]

InChI Key

OSMSIOKMMFKNIL-UHFFFAOYSA-N

InChI

InChI=1S/Ca.Si

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	68.16 g/mol	CAS Common Chemistry
	68.164 g/mol	RDKit
	74.212 g/mol	chempirical lib
Wikipedia Url	https://en.wikipedia.org/wiki/Calcium_monosilicide	CAS Common Chemistry
Canonical SMILES	[Si]#[Ca]	CAS Common Chemistry
InChI	InChI=1S/Ca.Si	CAS Common Chemistry
InChI Key	InChIKey=OSMSIOKMMFKNIL-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	1315 °C	CAS Common Chemistry
Name	Calcium silicide (CaSi)	CAS Common Chemistry
	Calcium monosilicide	CAS Common Chemistry
Heavy Atom Count	2	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	-0.7616	RDKit
Molar Refractivity	11.508 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	67.93951751 g/mol	RDKit

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Convert

MW = 68.16 g/mol. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol)