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109347-45-7 | 2-(4-TERT-BUTYLPHENYL)ACETALDEHYDE
CAS No: 109347-45-7 Catalog No: AG008SLC MDL No:MFCD08703377
Product Description
Catalog Number:
AG008SLC
Chemical Name:
2-(4-TERT-BUTYLPHENYL)ACETALDEHYDE
CAS Number:
109347-45-7
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD08703377
IUPAC Name:
2-(4-tert-butylphenyl)acetaldehyde
InChI:
InChI=1S/C12H16O/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7,9H,8H2,1-3H3
InChI Key:
VMLYBYNXKMHLIJ-UHFFFAOYSA-N
SMILES:
O=CCc1ccc(cc1)C(C)(C)C
Properties
Complexity:
159
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
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