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25705-34-4 | Benzeneacetaldehyde,2-formyl-
CAS No: 25705-34-4 Catalog No: AG007M8Z MDL No:
Product Description
Catalog Number:
AG007M8Z
Chemical Name:
Benzeneacetaldehyde,2-formyl-
CAS Number:
25705-34-4
Molecular Formula:
C9H8O2
Molecular Weight:
148.1586
IUPAC Name:
2-(2-oxoethyl)benzaldehyde
InChI:
InChI=1S/C9H8O2/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4,6-7H,5H2
InChI Key:
LKGNPIZAOBMSOD-UHFFFAOYSA-N
SMILES:
O=CCc1ccccc1C=O
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.052g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.161g/mol
Monoisotopic Mass:
148.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| An efficient route to polysubstituted tetrahydronaphthols: silver-catalyzed [4+2] cyclization of 2-alkylbenzaldehydes and alkenes. | Angewandte Chemie (International ed. in English) 20121022 |
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