Crotonic Anhydride

CAT: 0024-sc-485606Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-485606Size:25 g

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CAS Number

623-68-7

Chemical Information

2-Butenoic acid, 1,1'-anhydride

CAS Number	623-68-7
PubChem CID	12189
IUPAC Name	but-2-enoyl but-2-enoate
Molecular Formula	C8H10O3
Molecular Weight	154.16
XLogP	1.5
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	179

SMILES

CC=CC(=O)OC(=O)C=CC

InChI

InChI=1S/C8H10O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H,1-2H3

InChIKey

VJDDQSBNUHLBTD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 623-68-7

CID: 12189

Formula: C8H10O3

MW: 154.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.16
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	154.062994177
Monoisotopic Mass	154.062994177
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	179
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	2
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-239583	Crotonic acid
sc-266412	3- (Trifluoromethyl) crotonic acid
sc-291932A	Benzenesulfonic Anhydride
sc-211942	Myristic anhydride
sc-250181A	Isobutyric anhydride
sc-234328	Chlorodifluoroacetic anhydride
sc-285430	Difluoroacetic anhydride
sc-278994	Diphenic anhydride
sc-272564	Tetrachlorophthalic anhydride
sc-213113A	Trifluoroacetic anhydride