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Home > Aldehydes > 143260-32-6
143260-32-6 | 2H-1-Benzopyran-6-carboxaldehyde, 3,4-dihydro-2,2-dimethyl-4-oxo-
CAS No: 143260-32-6 Catalog No: AG006W99 MDL No:
Product Description
Catalog Number:
AG006W99
Chemical Name:
2H-1-Benzopyran-6-carboxaldehyde, 3,4-dihydro-2,2-dimethyl-4-oxo-
CAS Number:
143260-32-6
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
2,2-dimethyl-4-oxo-3H-chromene-6-carbaldehyde
InChI:
InChI=1S/C12H12O3/c1-12(2)6-10(14)9-5-8(7-13)3-4-11(9)15-12/h3-5,7H,6H2,1-2H3
InChI Key:
PVXPKUDFWXXKME-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)C(=O)CC(O2)(C)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Phytotoxins produced by fungi associated with grapevine trunk diseases. | Toxins 20111201 |
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