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18238-41-0 | 5H-Benzocyclohepten-5-one, 2,3-bis(acetyloxy)-6,7,8,9-tetrahydro-
CAS No: 18238-41-0 Catalog No: AG0023QA MDL No:
Product Description
Catalog Number:
AG0023QA
Chemical Name:
5H-Benzocyclohepten-5-one, 2,3-bis(acetyloxy)-6,7,8,9-tetrahydro-
CAS Number:
18238-41-0
Molecular Formula:
C15H16O5
Molecular Weight:
276.2845
IUPAC Name:
(3-acetyloxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl) acetate
InChI:
InChI=1S/C15H16O5/c1-9(16)19-14-7-11-5-3-4-6-13(18)12(11)8-15(14)20-10(2)17/h7-8H,3-6H2,1-2H3
InChI Key:
ZNAPJZAAXMTQKT-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc2C(=O)CCCCc2cc1OC(=O)C
NSC Number:
137462
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.288g/mol
Monoisotopic Mass:
276.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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