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2,5-Dimethylbenzaldehyde

CAT: 0127-OR73138-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR73138-01Size:1 g
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CAS Number
5779-94-2
MDL Number
MFCD00003342
Purity
95%
Smiles
CC1=CC(=C(C)C=C1)C=O

Chemical Information

2,5-Dimethylbenzaldehyde

2,5-Dimethylbenzaldehyde is a carbonyl compound.

CAS Number5779-94-2
PubChem CID22015
IUPAC Name2,5-dimethylbenzaldehyde
Molecular FormulaC9H10O
Molecular Weight134.17
XLogP2.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity120
SMILES
CC1=CC(=C(C=C1)C)C=O
InChI
InChI=1S/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H3
InChIKey
SMUVABOERCFKRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dimethylbenzaldehyde
CAS: 5779-94-2
CID: 22015
Formula: C9H10O
MW: 134.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.17
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass134.073164938
Monoisotopic Mass134.073164938
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity120
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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Alternative Products

CatalogName
FD61423-012,5-Dimethylbenzaldehyde
D37408-012,5-Dimethylbenzaldehyde 95%
EEC96030-012- (Difluoromethoxy) -4,5-dimethylbenzaldehyde
284487-012-Methoxy-3,5-dimethylbenzaldehyde
LDA58231-012-Methoxy-4,5-dimethylbenzaldehyde
JH1693232-hydroxy-4,5-dimethylbenzaldehyde
BKD16154-014-Iodo-2,5-dimethylbenzaldehyde
432616-014-Hydroxy-2,5-dimethylbenzaldehyde
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