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23039-28-3 | Benzaldehyde, 3-(1,1-dimethylethyl)-
CAS No: 23039-28-3 Catalog No: AG002LYZ MDL No:MFCD11100027
Product Description
Catalog Number:
AG002LYZ
Chemical Name:
Benzaldehyde, 3-(1,1-dimethylethyl)-
CAS Number:
23039-28-3
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD11100027
IUPAC Name:
3-tert-butylbenzaldehyde
InChI:
InChI=1S/C11H14O/c1-11(2,3)10-6-4-5-9(7-10)8-12/h4-8H,1-3H3
InChI Key:
HKEQMVXZDQLSDY-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)C(C)(C)C
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Mechanistic aspects of the formation of aldehydes and nitriles in photosensitized reactions of aldoxime ethers. | The Journal of organic chemistry 20070525 |
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