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16358-79-5 | Benzaldehyde, 2-(1,1-dimethylethyl)-
CAS No: 16358-79-5 Catalog No: AG001U8G MDL No:
Product Description
Catalog Number:
AG001U8G
Chemical Name:
Benzaldehyde, 2-(1,1-dimethylethyl)-
CAS Number:
16358-79-5
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
IUPAC Name:
2-tert-butylbenzaldehyde
InChI:
InChI=1S/C11H14O/c1-11(2,3)10-7-5-4-6-9(10)8-12/h4-8H,1-3H3
InChI Key:
TWQRQNJOSFBCJV-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1C(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:
3.4
Literature
| Title | Journal |
|---|---|
| Packed column supercritical fluid chromatography of sodium stearyl fumarate aqueous suspension. | Journal of pharmaceutical and biomedical analysis 20060303 |
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