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Home > Indoles and Oxindole > 1935025-01-6
1935025-01-6 | 5-hydroxy-2,3,3a,4,5,7a-hexahydro-1H-isoindole-1,3-dione
CAS No: 1935025-01-6 Catalog No: AG01BU0E MDL No:MFCD30203746
Product Description
Catalog Number:
AG01BU0E
Chemical Name:
5-hydroxy-2,3,3a,4,5,7a-hexahydro-1H-isoindole-1,3-dione
CAS Number:
1935025-01-6
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD30203746
IUPAC Name:
5-hydroxy-3a,4,5,7a-tetrahydroisoindole-1,3-dione
InChI:
InChI=1S/C8H9NO3/c10-4-1-2-5-6(3-4)8(12)9-7(5)11/h1-2,4-6,10H,3H2,(H,9,11,12)
InChI Key:
GNUDNAYOODXBQP-UHFFFAOYSA-N
SMILES:
OC1CC2C(C=C1)C(=O)NC2=O
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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