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1684-07-7 | 1H-2-Benzopyran-1-one, 3,4-diphenyl-
CAS No: 1684-07-7 Catalog No: AG001Y1O MDL No:
Product Description
Catalog Number:
AG001Y1O
Chemical Name:
1H-2-Benzopyran-1-one, 3,4-diphenyl-
CAS Number:
1684-07-7
Molecular Formula:
C21H14O2
Molecular Weight:
298.3347
IUPAC Name:
3,4-diphenylisochromen-1-one
InChI:
InChI=1S/C21H14O2/c22-21-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)20(23-21)16-11-5-2-6-12-16/h1-14H
InChI Key:
QBEHFSAHUYZGNQ-UHFFFAOYSA-N
SMILES:
O=c1oc(c2ccccc2)c(c2c1cccc2)c1ccccc1
NSC Number:
55862
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.099g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.341g/mol
Monoisotopic Mass:
298.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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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