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3-methoxy-2- (methoxymethoxy) benzaldehyde

CAT: 0127-OR1092945Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1092945Size:1 g
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CAS Number
5779-96-4
MDL Number
MFCD21195360
Purity
97%
Smiles
C1ccc (c (c1C=O) OCOC) OC

Chemical Information

3-Methoxy-2-(methoxymethoxy)benzaldehyde
CAS Number5779-96-4
PubChem CID11644081
IUPAC Name3-methoxy-2-(methoxymethoxy)benzaldehyde
Molecular FormulaC10H12O4
Molecular Weight196.20
XLogP1.1
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=C1OC)C=O
InChI
InChI=1S/C10H12O4/c1-12-7-14-10-8(6-11)4-3-5-9(10)13-2/h3-6H,7H2,1-2H3
InChIKey
CFVAGKYMCIDGCI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methoxy-2-(methoxymethoxy)benzaldehyde
CAS: 5779-96-4
CID: 11644081
Formula: C10H12O4
MW: 196.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight196.20
XLogP31.1
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