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119015-44-0 | 4H-Isoindol-4-one, octahydro-
CAS No: 119015-44-0 Catalog No: AG000P1Z MDL No:MFCD18432657
Product Description
Catalog Number:
AG000P1Z
Chemical Name:
4H-Isoindol-4-one, octahydro-
CAS Number:
119015-44-0
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
MDL Number:
MFCD18432657
IUPAC Name:
1,2,3,3a,5,6,7,7a-octahydroisoindol-4-one
InChI:
InChI=1S/C8H13NO/c10-8-3-1-2-6-4-9-5-7(6)8/h6-7,9H,1-5H2
InChI Key:
BGXMXYKDFFAEKA-UHFFFAOYSA-N
SMILES:
O=C1CCCC2C1CNC2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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