Acetic Anhydride

CAS: 108-24-7 | C4H6O3

2D Structure

Loading 3D structure...

CAS Registry Number

108-24-7

SMILES

CC(=O)OC(C)=O

InChI Key

WFDIJRYMOXRFFG-UHFFFAOYSA-N

InChI

InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	102.09 g/mol	CAS Common Chemistry
	102.089 g/mol	RDKit
Density	1.08 g/cm³	CAS Common Chemistry
	1.082 g/cm3 @ 20 °C	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Acetic_anhydride	CAS Common Chemistry
Boiling Point	139.5 °C	CAS Common Chemistry
Canonical SMILES	O=C(OC(=O)C)C	CAS Common Chemistry
InChI	InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3	CAS Common Chemistry
InChI Key	InChIKey=WFDIJRYMOXRFFG-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	-73 °C	CAS Common Chemistry
Name	Acetic anhydride	CAS Common Chemistry
Heavy Atom Count	7	RDKit
Hydrogen Bond Acceptors	3	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	43.370000000000005 Å²	RDKit
	43.37 Å²	RDKit
LogP	0.09600000000000009	RDKit
	0.096	RDKit
Molar Refractivity	22.44699999999999 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.5	RDKit
Exact Mass	102.031694052 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.

Other compounds with formula C4H6O3.