200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 29341-48-8
29341-48-8 | 2-benzyl-octahydro-1H-isoindol-5-one
CAS No: 29341-48-8 Catalog No: AG01ABJP MDL No:MFCD18089423
Product Description
Catalog Number:
AG01ABJP
Chemical Name:
2-benzyl-octahydro-1H-isoindol-5-one
CAS Number:
29341-48-8
Molecular Formula:
C15H19NO
Molecular Weight:
229.3175
MDL Number:
MFCD18089423
IUPAC Name:
2-benzyl-3,3a,4,6,7,7a-hexahydro-1H-isoindol-5-one
InChI:
InChI=1S/C15H19NO/c17-15-7-6-13-10-16(11-14(13)8-15)9-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2
InChI Key:
NFJXWSGDBZJYSN-UHFFFAOYSA-N
SMILES:
O=C1CCC2C(C1)CN(C2)Cc1ccccc1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.323g/mol
Monoisotopic Mass:
229.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^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.