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2,4-Dimethoxybenzyl acetate

CAT: 0127-OR1094591-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1094591-01Size:1 g
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CAS Number
880879-37-8
MDL Number
MFCD22418614
Purity
97%
Smiles
C1c (cc (c (c1) COC (=O) C) OC) OC

Chemical Information

2,4-Dimethoxybenzyl acetate
CAS Number880879-37-8
PubChem CID140076599
IUPAC Name(2,4-dimethoxyphenyl)methyl acetate
Molecular FormulaC11H14O4
Molecular Weight210.23
XLogP1.6
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity205
SMILES
CC(=O)OCC1=C(C=C(C=C1)OC)OC
InChI
InChI=1S/C11H14O4/c1-8(12)15-7-9-4-5-10(13-2)6-11(9)14-3/h4-6H,7H2,1-3H3
InChIKey
ZOZSHXWJDLZJOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dimethoxybenzyl acetate
CAS: 880879-37-8
CID: 140076599
Formula: C11H14O4
MW: 210.23
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.23
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass210.08920892
Monoisotopic Mass210.08920892
Topological Polar Surface Area44.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity205
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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CatalogName
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HY-W440039-01Methyl 2- (2,4-dihydroxyphenyl) acetate
TRC-E918881-500MG2-Ethylhexyl (2,4-dichlorophenoxy)acetate
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