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5- (Methoxymethoxy) -2-methylbenzaldehyde

CAT: 0127-OR1099246-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1099246-01Size:250 mg
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CAS Number
1596367-35-9
MDL Number
MFCD31619426
Purity
95%
Smiles
C1 (ccc (c (c1) C=O) C) OCOC

Chemical Information

5-(Methoxymethoxy)-2-methylbenzaldehyde
CAS Number1596367-35-9
PubChem CID117776998
IUPAC Name5-(methoxymethoxy)-2-methylbenzaldehyde
Molecular FormulaC10H12O3
Molecular Weight180.20
XLogP1.7
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity158
SMILES
CC1=C(C=C(C=C1)OCOC)C=O
InChI
InChI=1S/C10H12O3/c1-8-3-4-10(13-7-12-2)5-9(8)6-11/h3-6H,7H2,1-2H3
InChIKey
DQXPCLMLLFIAIA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(Methoxymethoxy)-2-methylbenzaldehyde
CAS: 1596367-35-9
CID: 117776998
Formula: C10H12O3
MW: 180.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass180.078644241
Monoisotopic Mass180.078644241
Topological Polar Surface Area35.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity158
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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