200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 15818-31-2
15818-31-2 | 1H-Isoindole-1,3(2H)-dione, 2-(3,3-dimethylbutyl)-
CAS No: 15818-31-2 Catalog No: AG001Q1O MDL No:
Product Description
Catalog Number:
AG001Q1O
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(3,3-dimethylbutyl)-
CAS Number:
15818-31-2
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
2-(3,3-dimethylbutyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H17NO2/c1-14(2,3)8-9-15-12(16)10-6-4-5-7-11(10)13(15)17/h4-7H,8-9H2,1-3H3
InChI Key:
NXFBPANFIOIQDU-UHFFFAOYSA-N
SMILES:
CC(CCN1C(=O)c2c(C1=O)cccc2)(C)C
NSC Number:
145075
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.