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Home Carboxys 1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1,3-dioxo-2-(2-phenylethyl)-

1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1,3-dioxo-2-(2-phenylethyl)-

CAS No.:
166096-57-7
Catalog Number:
AG00HZ58
Molecular Formula:
C17H13NO4
Molecular Weight:
295.2894
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Product Description
Catalog Number:
AG00HZ58
Chemical Name:
1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1,3-dioxo-2-(2-phenylethyl)-
CAS Number:
166096-57-7
Molecular Formula:
C17H13NO4
Molecular Weight:
295.2894
MDL Number:
MFCD02905255
IUPAC Name:
1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylic acid
InChI:
InChI=1S/C17H13NO4/c19-15-13-7-6-12(17(21)22)10-14(13)16(20)18(15)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,21,22)
InChI Key:
ICDZUDIRGRAYIV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)C(=O)N(C2=O)CCc1ccccc1
Properties
Complexity:
469  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.084g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
295.294g/mol
Monoisotopic Mass:
295.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
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
Properties