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27956-35-0 | 2-(4-METHYLPHENYL)MALONDIALDEHYDE
CAS No: 27956-35-0 Catalog No: AG00BDUD MDL No:MFCD00216506
Product Description
Catalog Number:
AG00BDUD
Chemical Name:
2-(4-METHYLPHENYL)MALONDIALDEHYDE
CAS Number:
27956-35-0
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
MDL Number:
MFCD00216506
IUPAC Name:
2-(4-methylphenyl)propanedial
InChI:
InChI=1S/C10H10O2/c1-8-2-4-9(5-3-8)10(6-11)7-12/h2-7,10H,1H3
InChI Key:
TXQHUJPDCFREEC-UHFFFAOYSA-N
SMILES:
O=CC(c1ccc(cc1)C)C=O
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Strigolactone analogues and mimics derived from phthalimide, saccharine, p-tolylmalondialdehyde, benzoic and salicylic acid as scaffolds. | Bioorganic & medicinal chemistry 20111215 |
| Synthesis and structures of acyclic monoanionic tetradentate aza beta-diketiminate complexes of magnesium, zinc, and cadmium. | Dalton transactions (Cambridge, England : 2003) 20061028 |
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