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17434-21-8 | 1H-Inden-1-one, 2,3-dihydro-2-(phenylmethylene)-, (2E)-
CAS No: 17434-21-8 Catalog No: AG001ZM1 MDL No:
Product Description
Catalog Number:
AG001ZM1
Chemical Name:
1H-Inden-1-one, 2,3-dihydro-2-(phenylmethylene)-, (2E)-
CAS Number:
17434-21-8
Molecular Formula:
C16H12O
Molecular Weight:
220.2659
IUPAC Name:
(2E)-2-benzylidene-3H-inden-1-one
InChI:
InChI=1S/C16H12O/c17-16-14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15(13)16/h1-10H,11H2/b14-10+
InChI Key:
ITHXOKQJEXLMKO-GXDHUFHOSA-N
SMILES:
O=C1/C(=C/c2ccccc2)/Cc2c1cccc2
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
220.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.271g/mol
Monoisotopic Mass:
220.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Zebrafish chemical screening reveals an inhibitor of Dusp6 that expands cardiac cell lineages. | Nature chemical biology 20090901 |
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