MalAM-yne

CAT: 0127-OR1007252-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1007252-01Size:50 mg

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CAS Number

1433828-18-2

Purity

98%

Smiles

O=C(C)OCOC(C(CC#C)C(OCOC(C)=O)=O)=O

Chemical Information

Malam-yne

CAS Number	1433828-18-2
PubChem CID	102202341
IUPAC Name	bis(acetyloxymethyl) 2-prop-2-ynylpropanedioate
Molecular Formula	C12H14O8
Molecular Weight	286.23
XLogP	0.7
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Heavy Atom Count	20
Formal Charge	0
Complexity	398

SMILES

CC(=O)OCOC(=O)C(CC#C)C(=O)OCOC(=O)C

InChI

InChI=1S/C12H14O8/c1-4-5-10(11(15)19-6-17-8(2)13)12(16)20-7-18-9(3)14/h1,10H,5-7H2,2-3H3

InChIKey

SGYBBLRNBLKERO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1433828-18-2

CID: 102202341

Formula: C12H14O8

MW: 286.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	286.23
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Exact Mass	286.06886740
Monoisotopic Mass	286.06886740
Topological Polar Surface Area	105 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	398
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