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4-Methoxy-2- (methoxymethoxy) benzaldehyde

CAT: 0127-OR1003191-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1003191-01Size:250 mg
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CAS Number
124555-63-1
MDL Number
MFCD16622231
Purity
95%
Smiles
COCOc1cc(OC)ccc1C=O

Chemical Information

4-Methoxy-2-(methoxymethoxy)benzaldehyde
CAS Number124555-63-1
PubChem CID397421
IUPAC Name4-methoxy-2-(methoxymethoxy)benzaldehyde
Molecular FormulaC10H12O4
Molecular Weight196.20
XLogP1.3
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity172
SMILES
COCOC1=C(C=CC(=C1)OC)C=O
InChI
InChI=1S/C10H12O4/c1-12-7-14-10-5-9(13-2)4-3-8(10)6-11/h3-6H,7H2,1-2H3
InChIKey
JJCXYLBDGWBBBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxy-2-(methoxymethoxy)benzaldehyde
CAS: 124555-63-1
CID: 397421
Formula: C10H12O4
MW: 196.20
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight196.20
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass196.07355886
Monoisotopic Mass196.07355886
Topological Polar Surface Area44.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity172
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