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1164509-59-4 | "2-[(2E)-3-phenylprop-2-enoyl]-2,3-dihydro-1H-indene-1,3-dione"
CAS No: 1164509-59-4 Catalog No: AG01FP9Z MDL No:MFCD00225943
Product Description
Catalog Number:
AG01FP9Z
Chemical Name:
"2-[(2E)-3-phenylprop-2-enoyl]-2,3-dihydro-1H-indene-1,3-dione"
CAS Number:
1164509-59-4
Molecular Formula:
C18H12O3
Molecular Weight:
276.2861
MDL Number:
MFCD00225943
IUPAC Name:
2-[(E)-3-phenylprop-2-enoyl]indene-1,3-dione
InChI:
InChI=1S/C18H12O3/c19-15(11-10-12-6-2-1-3-7-12)16-17(20)13-8-4-5-9-14(13)18(16)21/h1-11,16H/b11-10+
InChI Key:
YXFGAICZGGUTCL-ZHACJKMWSA-N
SMILES:
O=C(C1C(=O)c2c(C1=O)cccc2)/C=C/c1ccccc1
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
276.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.291g/mol
Monoisotopic Mass:
276.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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