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Home > Indoles and Oxindole > 7151-24-8
7151-24-8 | 2-hydroxy-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione
CAS No: 7151-24-8 Catalog No: AG005T3W MDL No:
Product Description
Catalog Number:
AG005T3W
Chemical Name:
2-hydroxy-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione
CAS Number:
7151-24-8
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
IUPAC Name:
2-hydroxy-3a,4,7,7a-tetrahydroisoindole-1,3-dione
InChI:
InChI=1S/C8H9NO3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-2,5-6,12H,3-4H2
InChI Key:
GNJKALOITRXADZ-UHFFFAOYSA-N
SMILES:
ON1C(=O)C2C(C1=O)CC=CC2
NSC Number:
70410
Properties
Complexity:
246
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:
1
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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