Diallyl malate

CAT: 0127-OR1003253-02Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1003253-02Size:500 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

32099-14-2

MDL Number

MFCD00080460

Purity

95%

Smiles

C=CCOC(=O)CC(C(=O)OCC=C)O

Chemical Information

Diprop-2-en-1-yl 2-hydroxybutanedioate

CAS Number	32099-14-2
PubChem CID	245430
IUPAC Name	bis(prop-2-enyl) 2-hydroxybutanedioate
Molecular Formula	C10H14O5
Molecular Weight	214.21
XLogP	0.6
Topological Polar Surface Area	72.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Heavy Atom Count	15
Formal Charge	0
Complexity	246

SMILES

C=CCOC(=O)CC(C(=O)OCC=C)O

InChI

InChI=1S/C10H14O5/c1-3-5-14-9(12)7-8(11)10(13)15-6-4-2/h3-4,8,11H,1-2,5-7H2

InChIKey

YLTDNYQTDYMOBH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 32099-14-2

CID: 245430

Formula: C10H14O5

MW: 214.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.21
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	214.08412354
Monoisotopic Mass	214.08412354
Topological Polar Surface Area	72.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	246
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes