Home Carboxys 4-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-5-methylfuran-2-carboxylic acid

4-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-5-methylfuran-2-carboxylic acid

CAS No.:
1455991-37-3
Catalog Number:
AG01B6RM
Molecular Formula:
C15H11NO5
Molecular Weight:
285.2515
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Product Description
Catalog Number:
AG01B6RM
Chemical Name:
4-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-5-methylfuran-2-carboxylic acid
CAS Number:
1455991-37-3
Molecular Formula:
C15H11NO5
Molecular Weight:
285.2515
MDL Number:
MFCD11857799
IUPAC Name:
4-[(1,3-dioxoisoindol-2-yl)methyl]-5-methylfuran-2-carboxylic acid
InChI:
InChI=1S/C15H11NO5/c1-8-9(6-12(21-8)15(19)20)7-16-13(17)10-4-2-3-5-11(10)14(16)18/h2-6H,7H2,1H3,(H,19,20)
InChI Key:
WNDJBISSYRAIIO-UHFFFAOYSA-N
SMILES:
Cc1oc(cc1CN1C(=O)c2c(C1=O)cccc2)C(=O)O
Properties
Complexity:
453  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.064g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
285.255g/mol
Monoisotopic Mass:
285.064g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties