200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 160694-90-6
160694-90-6 | 2-(1,3-Dioxo-octahydro-isoindol-2-yl)-benzoic acid
CAS No: 160694-90-6 Catalog No: AG01F2DG MDL No:
Product Description
Catalog Number:
AG01F2DG
Chemical Name:
2-(1,3-Dioxo-octahydro-isoindol-2-yl)-benzoic acid
CAS Number:
160694-90-6
Molecular Formula:
C15H15NO4
Molecular Weight:
273.2839
IUPAC Name:
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid
InChI:
InChI=1S/C15H15NO4/c17-13-9-5-1-2-6-10(9)14(18)16(13)12-8-4-3-7-11(12)15(19)20/h3-4,7-10H,1-2,5-6H2,(H,19,20)
InChI Key:
HTGCHRIHXMCPFD-UHFFFAOYSA-N
SMILES:
O=C1C2CCCCC2C(=O)N1c1ccccc1C(=O)O
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.288g/mol
Monoisotopic Mass:
273.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.