200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 879687-90-8
879687-90-8 | 2-BENZYLHEXAHYDRO-1H-ISOINDOL-4(2H)-ONE
CAS No: 879687-90-8 Catalog No: AG00H2QL MDL No:MFCD10758102
Product Description
Catalog Number:
AG00H2QL
Chemical Name:
2-BENZYLHEXAHYDRO-1H-ISOINDOL-4(2H)-ONE
CAS Number:
879687-90-8
Molecular Formula:
C15H19NO
Molecular Weight:
229.3175
MDL Number:
MFCD10758102
IUPAC Name:
2-benzyl-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-one
InChI:
InChI=1S/C15H19NO/c17-15-8-4-7-13-10-16(11-14(13)15)9-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2
InChI Key:
CEOKBKQHDGSNSQ-UHFFFAOYSA-N
SMILES:
O=C1CCCC2C1CN(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:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.