200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 26577-34-4
26577-34-4 | 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanedioic acid
CAS No: 26577-34-4 Catalog No: AG00IQO2 MDL No:MFCD04124607
Product Description
Catalog Number:
AG00IQO2
Chemical Name:
2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanedioic acid
CAS Number:
26577-34-4
Molecular Formula:
C12H11NO5
Molecular Weight:
249.2194
MDL Number:
MFCD04124607
IUPAC Name:
2-(3-oxo-1H-isoindol-2-yl)butanedioic acid
InChI:
InChI=1S/C12H11NO5/c14-10(15)5-9(12(17)18)13-6-7-3-1-2-4-8(7)11(13)16/h1-4,9H,5-6H2,(H,14,15)(H,17,18)
InChI Key:
ARQVQTROBUYMIT-UHFFFAOYSA-N
SMILES:
OC(=O)CC(N1Cc2c(C1=O)cccc2)C(=O)O
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.222g/mol
Monoisotopic Mass:
249.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.