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104-09-6 | 2-(p-Tolyl);acetaldehyde
CAS No: 104-09-6 Catalog No: AG0084X6 MDL No:MFCD00047658
Product Description
Catalog Number:
AG0084X6
Chemical Name:
2-(p-Tolyl);acetaldehyde
CAS Number:
104-09-6
Molecular Formula:
C9H10O
Molecular Weight:
134.1751
MDL Number:
MFCD00047658
IUPAC Name:
2-(4-methylphenyl)acetaldehyde
InChI:
InChI=1S/C9H10O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,7H,6H2,1H3
InChI Key:
CIXAYNMKFFQEFU-UHFFFAOYSA-N
SMILES:
O=CCc1ccc(cc1)C
EC Number:
203-173-2
UNII:
7L6760H4LH
FEMA Number:
3071
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.073g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.178g/mol
Monoisotopic Mass:
134.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. | Molecular pharmaceutics 20080101 |
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