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Home > Indoles and Oxindole > 51674-11-4
51674-11-4 | 1H-Isoindole-1,3(2H)-dione,4,7-dihydroxy-
CAS No: 51674-11-4 Catalog No: AG006UDX MDL No:
Product Description
Catalog Number:
AG006UDX
Chemical Name:
1H-Isoindole-1,3(2H)-dione,4,7-dihydroxy-
CAS Number:
51674-11-4
Molecular Formula:
C8H5NO4
Molecular Weight:
179.1296
IUPAC Name:
4,7-dihydroxyisoindole-1,3-dione
InChI:
InChI=1S/C8H5NO4/c10-3-1-2-4(11)6-5(3)7(12)9-8(6)13/h1-2,10-11H,(H,9,12,13)
InChI Key:
RTVQVYVJANLNSR-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c1c(O)ccc2O
EC Number:
257-344-1
NSC Number:
229301
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.131g/mol
Monoisotopic Mass:
179.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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