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116617-18-6 | 1H-Indene-2-carboxylic acid, 3-amino-1-cyano-1-phenyl-, methyl ester
CAS No: 116617-18-6 Catalog No: AG000CWM MDL No:MFCD00232278
Product Description
Catalog Number:
AG000CWM
Chemical Name:
1H-Indene-2-carboxylic acid, 3-amino-1-cyano-1-phenyl-, methyl ester
CAS Number:
116617-18-6
Molecular Formula:
C18H14N2O2
Molecular Weight:
290.3160
MDL Number:
MFCD00232278
IUPAC Name:
methyl 3-amino-1-cyano-1-phenylindene-2-carboxylate
InChI:
InChI=1S/C18H14N2O2/c1-22-17(21)15-16(20)13-9-5-6-10-14(13)18(15,11-19)12-7-3-2-4-8-12/h2-10H,20H2,1H3
InChI Key:
KFLDWHRPRZSDAU-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(N)c2c(C1(C#N)c1ccccc1)cccc2
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.322g/mol
Monoisotopic Mass:
290.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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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