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27752-29-0 | 3aH-Benz[e]indene-3a-carboxylic acid, 2,3,4,5-tetrahydro-7-methoxy-2-oxo-, methyl ester
CAS No: 27752-29-0 Catalog No: AG002UO4 MDL No:
Product Description
Catalog Number:
AG002UO4
Chemical Name:
3aH-Benz[e]indene-3a-carboxylic acid, 2,3,4,5-tetrahydro-7-methoxy-2-oxo-, methyl ester
CAS Number:
27752-29-0
Molecular Formula:
C16H16O4
Molecular Weight:
272.2958
IUPAC Name:
methyl 7-methoxy-2-oxo-4,5-dihydro-3H-cyclopenta[a]naphthalene-3a-carboxylate
InChI:
InChI=1S/C16H16O4/c1-19-12-3-4-13-10(7-12)5-6-16(15(18)20-2)9-11(17)8-14(13)16/h3-4,7-8H,5-6,9H2,1-2H3
InChI Key:
VMPSZQWRHSUGEL-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CCC1(C2=CC(=O)C1)C(=O)OC
NSC Number:
152875
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.3g/mol
Monoisotopic Mass:
272.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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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