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Home Carboxys 2-(3-methoxypropyl)-1,3-dioxoisoindoline-5-carboxylic acid

2-(3-methoxypropyl)-1,3-dioxoisoindoline-5-carboxylic acid

CAS No.:
705268-13-9
Catalog Number:
AG00IC2O
Molecular Formula:
C13H13NO5
Molecular Weight:
263.2460
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Product Description
Catalog Number:
AG00IC2O
Chemical Name:
2-(3-methoxypropyl)-1,3-dioxoisoindoline-5-carboxylic acid
CAS Number:
705268-13-9
Molecular Formula:
C13H13NO5
Molecular Weight:
263.2460
MDL Number:
MFCD03619842
IUPAC Name:
2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylic acid
InChI:
InChI=1S/C13H13NO5/c1-19-6-2-5-14-11(15)9-4-3-8(13(17)18)7-10(9)12(14)16/h3-4,7H,2,5-6H2,1H3,(H,17,18)
InChI Key:
FDOUOUHZOGGPIV-UHFFFAOYSA-N
SMILES:
COCCCN1C(=O)c2c(C1=O)cc(cc2)C(=O)O
Properties
Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.079g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
263.249g/mol
Monoisotopic Mass:
263.079g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
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