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113737-81-8 | 3-Cyclohexene-1-carboxylic acid, 2-oxo-4,6-diphenyl-, ethyl ester, cis- (9CI)
CAS No: 113737-81-8 Catalog No: AG0009IT MDL No:
Product Description
Catalog Number:
AG0009IT
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 2-oxo-4,6-diphenyl-, ethyl ester, cis- (9CI)
CAS Number:
113737-81-8
Molecular Formula:
C21H20O3
Molecular Weight:
320.3817
IUPAC Name:
ethyl 2-oxo-4,6-diphenylcyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C21H20O3/c1-2-24-21(23)20-18(16-11-7-4-8-12-16)13-17(14-19(20)22)15-9-5-3-6-10-15/h3-12,14,18,20H,2,13H2,1H3
InChI Key:
AEQIPTUZFTVYQY-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@@H]1C(=O)C=C(C[C@@H]1c1ccccc1)c1ccccc1
NSC Number:
11916
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.141g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.388g/mol
Monoisotopic Mass:
320.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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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