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4-Hydroxy-3-isopropylbenzaldehyde

CAT: 0127-OR1096655Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
126274-94-0
MDL Number
MFCD16997091
Smiles
C1 (c (ccc (c1) C=O) O) C (C) C

Chemical Information

4-Hydroxy-3-isopropylbenzaldehyde
CAS Number126274-94-0
PubChem CID23240003
IUPAC Name4-hydroxy-3-propan-2-ylbenzaldehyde
Molecular FormulaC10H12O2
Molecular Weight164.20
XLogP2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity154
SMILES
CC(C)C1=C(C=CC(=C1)C=O)O
InChI
InChI=1S/C10H12O2/c1-7(2)9-5-8(6-11)3-4-10(9)12/h3-7,12H,1-2H3
InChIKey
LOPMBMHNTAAHAN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-3-isopropylbenzaldehyde
CAS: 126274-94-0
CID: 23240003
Formula: C10H12O2
MW: 164.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass164.083729621
Monoisotopic Mass164.083729621
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity154
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
SCA37296-012-Hydroxy-3-isopropylbenzaldehyde
C10701-25mg4-Isopropylbenzaldehyde
sc-322567A3-Isopropylbenzaldehyde
sc-2774494-isopropylbenzaldehyde oxime
T83418-012- ((1R,2R) -2-Formyl-1,3,3-trimethylcyclohexyl) -4-hydroxy-5-isopropylbenzaldehyde
MBS58250672-((1R,2R)-2-Formyl-1,3,3-trimethylcyclohexyl)-4-hydroxy-5-isopropylbenzaldehyde
sc-321797A2-Isopropylbenzaldehyde
sc-3524434-isopropylbenzaldehyde [4- (chloromethyl) -1,3-thiazol-2-yl]hydrazone
452074-01Hydroxy-4-androstenone (Mixture of α-β 3-Hydroxy)
FH67335-014'-Hydroxy-3,4-methylenedioxychalcone

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