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70265-07-5 | 1H-Isoindole-1,3(2H)-dione, hexahydro-, trans-
CAS No: 70265-07-5 Catalog No: AG005WLK MDL No:MFCD11973904
Product Description
Catalog Number:
AG005WLK
Chemical Name:
1H-Isoindole-1,3(2H)-dione, hexahydro-, trans-
CAS Number:
70265-07-5
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD11973904
IUPAC Name:
(3aR,7aR)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
InChI:
InChI=1S/C8H11NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h5-6H,1-4H2,(H,9,10,11)/t5-,6-/m1/s1
InChI Key:
WLDMPODMCFGWAA-PHDIDXHHSA-N
SMILES:
O=C1NC(=O)[C@H]2[C@H]1CCCC2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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