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Home > Aldehydes > 132478-08-1
132478-08-1 | Cyclobutanecarboxaldehyde, 3-acetyl-2,2-dimethyl-
CAS No: 132478-08-1 Catalog No: AG0010PR MDL No:
Product Description
Catalog Number:
AG0010PR
Chemical Name:
Cyclobutanecarboxaldehyde, 3-acetyl-2,2-dimethyl-
CAS Number:
132478-08-1
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
3-acetyl-2,2-dimethylcyclobutane-1-carbaldehyde
InChI:
InChI=1S/C9H14O2/c1-6(11)8-4-7(5-10)9(8,2)3/h5,7-8H,4H2,1-3H3
InChI Key:
CRBGTXDFEDFKSU-UHFFFAOYSA-N
SMILES:
O=CC1CC(C1(C)C)C(=O)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| HPLC combined with multiple mass spectrometry (MSn): an alternative for the structure elucidation of compounds and artefacts found in smog chamber samples. | Journal of environmental monitoring : JEM 20010601 |
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