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Dimethyl ethylidenemalonate

CAT: 0926-FD173067-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-FD173067-01Size:100 g
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CAS Number
17041-60-0
Smiles
CC=C (C (=O) OC) C (=O) OC
Molecular Formula
C7H10O4
Molecular Weight
158.15 g/mol
Controlled
No

Chemical Information

Dimethyl ethylidenemalonate
CAS Number17041-60-0
PubChem CID581096
IUPAC Namedimethyl 2-ethylidenepropanedioate
Molecular FormulaC7H10O4
Molecular Weight158.15
XLogP1
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity175
SMILES
CC=C(C(=O)OC)C(=O)OC
InChI
InChI=1S/C7H10O4/c1-4-5(6(8)10-2)7(9)11-3/h4H,1-3H3
InChIKey
FRCFZWCJSXQAMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimethyl ethylidenemalonate
CAS: 17041-60-0
CID: 581096
Formula: C7H10O4
MW: 158.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight158.15
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass158.05790880
Monoisotopic Mass158.05790880
Topological Polar Surface Area52.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity175
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes