Acetic anhydride SG

CAT: 0063-21238314Size: 1 LDry Ice: NoHazardous: No

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CAS Number

108-24-7

Chemical Information

Acetic Anhydride

Acetic anhydride is an acyclic carboxylic anhydride derived from acetic acid. It has a role as a metabolite and a reagent.

CAS Number	108-24-7
PubChem CID	7918
IUPAC Name	acetyl acetate
Molecular Formula	C4H6O3
Molecular Weight	102.09
XLogP	-0.1
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	83

SMILES

CC(=O)OC(=O)C

InChI

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

InChIKey

WFDIJRYMOXRFFG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108-24-7

CID: 7918

Formula: C4H6O3

MW: 102.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	102.09
XLogP3	-0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	102.031694049
Monoisotopic Mass	102.031694049
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	83.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
40000017-1	Acetic Anhydride
RAA64949-01	Acetic anhydride-d6
FT16186-01	Trifluoro acetic anhydride
440800-01	Acetic propionic anhydride
289830-01	Trimethyl acetic anhydride
440799-01	Acetic Anhydride-13C4
X071-2ML	Acetic Anhydride, 2ML
AR-P30720-01	Acetic Pentanoic Anhydride
LC-10027.1	Acetic anhydride p.A.
RG-A261782-01	Acetic Isobutyric Anhydride