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307549-77-5 | 6H-Dibenzo[b,d]pyran-6-one, 7,8,9,10-tetrahydro-3-(1-methyl-2-oxopropoxy)-
CAS No: 307549-77-5 Catalog No: AG003171 MDL No:MFCD01955587
Product Description
Catalog Number:
AG003171
Chemical Name:
6H-Dibenzo[b,d]pyran-6-one, 7,8,9,10-tetrahydro-3-(1-methyl-2-oxopropoxy)-
CAS Number:
307549-77-5
Molecular Formula:
C17H18O4
Molecular Weight:
286.3224
MDL Number:
MFCD01955587
IUPAC Name:
3-(3-oxobutan-2-yloxy)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
InChI:
InChI=1S/C17H18O4/c1-10(18)11(2)20-12-7-8-14-13-5-3-4-6-15(13)17(19)21-16(14)9-12/h7-9,11H,3-6H2,1-2H3
InChI Key:
PMICNKBWQJSMMB-UHFFFAOYSA-N
SMILES:
CC(=O)C(Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.327g/mol
Monoisotopic Mass:
286.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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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