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Home > Indoles and Oxindole > 21715-90-2
21715-90-2 | 2-Hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CAS No: 21715-90-2 Catalog No: AG003T2G MDL No:MFCD00065691
Product Description
Catalog Number:
AG003T2G
Chemical Name:
2-Hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CAS Number:
21715-90-2
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD00065691
IUPAC Name:
4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
InChI:
InChI=1S/C9H9NO3/c11-8-6-4-1-2-5(3-4)7(6)9(12)10(8)13/h1-2,4-7,13H,3H2
InChI Key:
ZUSSTQCWRDLYJA-UHFFFAOYSA-N
SMILES:
ON1C(=O)C2C(C1=O)C1CC2C=C1
EC Number:
244-538-6
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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