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5-Methoxy-2-methylbenzaldehyde

CAT: 0926-GCA72409Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-GCA72409Size:5 g
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CAS Number
56724-09-5
MDL Number
MFCD12547802
Smiles
CC1=C (C=C (C=C1) OC) C=O
Molecular Formula
C9H10O2
Molecular Weight
150.18 g/mol
Controlled
No

Chemical Information

5-Methoxy-2-methylbenzaldehyde
CAS Number56724-09-5
PubChem CID12347566
IUPAC Name5-methoxy-2-methylbenzaldehyde
Molecular FormulaC9H10O2
Molecular Weight150.17
XLogP2.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity134
SMILES
CC1=C(C=C(C=C1)OC)C=O
InChI
InChI=1S/C9H10O2/c1-7-3-4-9(11-2)5-8(7)6-10/h3-6H,1-2H3
InChIKey
ZCEYVMICIGLTMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methoxy-2-methylbenzaldehyde
CAS: 56724-09-5
CID: 12347566
Formula: C9H10O2
MW: 150.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight150.17
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass150.068079557
Monoisotopic Mass150.068079557
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity134
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