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

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

CAS No.:
1511848-76-2
Catalog Number:
AG01B5PC
Molecular Formula:
C15H11NO4S
Molecular Weight:
301.3171
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B5PC
Chemical Name:
2-[(4-methylthiophen-3-yl)methyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
CAS Number:
1511848-76-2
Molecular Formula:
C15H11NO4S
Molecular Weight:
301.3171
MDL Number:
MFCD30181181
IUPAC Name:
2-[(4-methylthiophen-3-yl)methyl]-1,3-dioxoisoindole-5-carboxylic acid
InChI:
InChI=1S/C15H11NO4S/c1-8-6-21-7-10(8)5-16-13(17)11-3-2-9(15(19)20)4-12(11)14(16)18/h2-4,6-7H,5H2,1H3,(H,19,20)
InChI Key:
ZXZWVGMNPVQQJD-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2cscc2C)C(=O)c2c1cc(cc2)C(=O)O
Properties
Complexity:
480  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.041g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
301.316g/mol
Monoisotopic Mass:
301.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties