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67468-54-6

67468-54-6 | 4-(tert-Pentyl)benzaldehyde

CAS No: 67468-54-6 Catalog No: AG0038HV MDL No:

Product Description

Catalog Number:
AG0038HV
Chemical Name:
4-(tert-Pentyl)benzaldehyde
CAS Number:
67468-54-6
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
4-(2-methylbutan-2-yl)benzaldehyde
InChI:
InChI=1S/C12H16O/c1-4-12(2,3)11-7-5-10(9-13)6-8-11/h5-9H,4H2,1-3H3
InChI Key:
CFMSVJPRGKKHRS-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)C=O)(C)C

Properties

Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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