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4-(2-Methylpropyl)benzaldehyde

CAT: 0572-TRC-M326895-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M326895-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
40150-98-9
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (GC)
Smiles
CC(C)Cc1ccc(C=O)cc1
Molecular Formula
C11 H14 O
Molecular Weight
162.23
InChI
InChI=1S/C11H14O/c1-9(2)7-10-3-5-11(8-12)6-4-10/h3-6,8-9H,7H2,1-2H3
Additionnal Information
IUPAC name: 4-(2-methylpropyl)benzaldehyde
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Benzaldehyde, 4-(2-methylpropyl)-
CAS Number40150-98-9
PubChem CID577537
IUPAC Name4-(2-methylpropyl)benzaldehyde
Molecular FormulaC11H14O
Molecular Weight162.23
XLogP3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity132
SMILES
CC(C)CC1=CC=C(C=C1)C=O
InChI
InChI=1S/C11H14O/c1-9(2)7-10-3-5-11(8-12)6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKey
LXPWGAZYJHUWPM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzaldehyde, 4-(2-methylpropyl)-
CAS: 40150-98-9
CID: 577537
Formula: C11H14O
MW: 162.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight162.23
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass162.104465066
Monoisotopic Mass162.104465066
Topological Polar Surface Area17.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity132
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