200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 3197-25-9
3197-25-9 | 2-(4-Oxopentyl);isoindoline-1,3-dione
CAS No: 3197-25-9 Catalog No: AG00I623 MDL No:MFCD06797717
Product Description
Catalog Number:
AG00I623
Chemical Name:
2-(4-Oxopentyl);isoindoline-1,3-dione
CAS Number:
3197-25-9
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD06797717
IUPAC Name:
2-(4-oxopentyl)isoindole-1,3-dione
InChI:
InChI=1S/C13H13NO3/c1-9(15)5-4-8-14-12(16)10-6-2-3-7-11(10)13(14)17/h2-3,6-7H,4-5,8H2,1H3
InChI Key:
DPATUMDQWSJANG-UHFFFAOYSA-N
SMILES:
CC(=O)CCCN1C(=O)c2c(C1=O)cccc2
EC Number:
608-687-4
NSC Number:
38564
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.