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2740-22-9 | 1H-Indene-2-carboxaldehyde, 2,3-dihydro-1,3-dioxo-
CAS No: 2740-22-9 Catalog No: AG007KW5 MDL No:
Product Description
Catalog Number:
AG007KW5
Chemical Name:
1H-Indene-2-carboxaldehyde, 2,3-dihydro-1,3-dioxo-
CAS Number:
2740-22-9
Molecular Formula:
C10H6O3
Molecular Weight:
174.1528
IUPAC Name:
1,3-dioxoindene-2-carbaldehyde
InChI:
InChI=1S/C10H6O3/c11-5-8-9(12)6-3-1-2-4-7(6)10(8)13/h1-5,8H
InChI Key:
GWVXFIHXOJFWKM-UHFFFAOYSA-N
SMILES:
O=CC1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.032g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.155g/mol
Monoisotopic Mass:
174.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Theoretical and spectroscopic study of 2-substituted indan-1,3-diones: a coherent picture of the tautomeric equilibrium. | The journal of physical chemistry. A 20071004 |
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