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18238-44-3 | 5H-Benzocyclohepten-5-one, 2-(acetyloxy)-6,7,8,9-tetrahydro-3-methoxy-
CAS No: 18238-44-3 Catalog No: AG0023Q7 MDL No:
Product Description
Catalog Number:
AG0023Q7
Chemical Name:
5H-Benzocyclohepten-5-one, 2-(acetyloxy)-6,7,8,9-tetrahydro-3-methoxy-
CAS Number:
18238-44-3
Molecular Formula:
C14H16O4
Molecular Weight:
248.2744
IUPAC Name:
(3-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl) acetate
InChI:
InChI=1S/C14H16O4/c1-9(15)18-14-7-10-5-3-4-6-12(16)11(10)8-13(14)17-2/h7-8H,3-6H2,1-2H3
InChI Key:
GFXQFPHYNKBODT-UHFFFAOYSA-N
SMILES:
COc1cc2C(=O)CCCCc2cc1OC(=O)C
NSC Number:
109973
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.278g/mol
Monoisotopic Mass:
248.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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