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4- (Dimethoxymethyl) pyrimidine

CAT: 0127-OR300147-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR300147-01Size:5 g
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CAS Number
25746-87-6
MDL Number
MFCD06738842
Purity
98%
Smiles
COC(OC)c1ccncn1

Chemical Information

4-(Dimethoxymethyl)pyrimidine
CAS Number25746-87-6
PubChem CID12440240
IUPAC Name4-(dimethoxymethyl)pyrimidine
Molecular FormulaC7H10N2O2
Molecular Weight154.17
XLogP-0.1
Topological Polar Surface Area44.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity107
SMILES
COC(C1=NC=NC=C1)OC
InChI
InChI=1S/C7H10N2O2/c1-10-7(11-2)6-3-4-8-5-9-6/h3-5,7H,1-2H3
InChIKey
QZBWJPFALVAAPM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Dimethoxymethyl)pyrimidine
CAS: 25746-87-6
CID: 12440240
Formula: C7H10N2O2
MW: 154.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.17
XLogP3-0.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass154.074227566
Monoisotopic Mass154.074227566
Topological Polar Surface Area44.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity107
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

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