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40731-98-4 | 4-Hydroxyindanone
CAS No: 40731-98-4 Catalog No: AG00342B MDL No:MFCD00143330
Product Description
Catalog Number:
AG00342B
Chemical Name:
4-Hydroxyindanone
CAS Number:
40731-98-4
Molecular Formula:
C9H8O2
Molecular Weight:
148.1586
MDL Number:
MFCD00143330
IUPAC Name:
4-hydroxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C9H8O2/c10-8-3-1-2-6-7(8)4-5-9(6)11/h1-3,10H,4-5H2
InChI Key:
CKSCMRNFDBWFND-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1cccc2O
Properties
Complexity:
176
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:
1
Isotope Atom Count:
0
Molecular Weight:
148.161g/mol
Monoisotopic Mass:
148.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthetic studies on furanosteroids: construction of the viridin core structure via Diels-Alder/retro-Diels-Alder and vinylogous Mukaiyama aldol-type reaction. | The Journal of organic chemistry 20120907 |
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