Diallyl succinate

CAT: 0926-FD30690-02Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-FD30690-02Size:1 g

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CAS Number

925-16-6

MDL Number

MFCD00008648

Smiles

C=CCOC (=O) CCC (=O) OCC=C

Molecular Formula

C10H14O4

Molecular Weight

198.22 g/mol

Controlled

Chemical Information

Butanedioic acid, 1,4-di-2-propen-1-yl ester

CAS Number	925-16-6
PubChem CID	70215
IUPAC Name	bis(prop-2-enyl) butanedioate
Molecular Formula	C10H14O4
Molecular Weight	198.22
XLogP	1.2
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Heavy Atom Count	14
Formal Charge	0
Complexity	196

SMILES

C=CCOC(=O)CCC(=O)OCC=C

InChI

InChI=1S/C10H14O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-4H,1-2,5-8H2

InChIKey

HABAXTXIECRCKH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 925-16-6

CID: 70215

Formula: C10H14O4

MW: 198.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.22
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	198.08920892
Monoisotopic Mass	198.08920892
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	196
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
FD59865-01	Diallyl disulfide
FD41115-01	Diallyl trisulfide
GAA29479-01	Diallyl Isocyanurate
FD45432	Diallyl dicarbonate
EAA21887-01	Catechol diallyl ether
FD52479-01	N, N'-Diallyl-L-tartardiamide
FD21443-01	N, N-Diallyl-5-methoxytryptamine
ETA48301-01	Diallyl (chloromethyl) phosphate, stabilized with TBC
FF61506-01	Frovatriptan succinate
FD59815-01	Doxylamine succinate