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Home > Indoles and Oxindole > 29539-03-5
29539-03-5 | 1H-Indole-5,6-diol, 2,3-dihydro-
CAS No: 29539-03-5 Catalog No: AG002YOP MDL No:MFCD07368401
Product Description
Catalog Number:
AG002YOP
Chemical Name:
1H-Indole-5,6-diol, 2,3-dihydro-
CAS Number:
29539-03-5
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD07368401
IUPAC Name:
2,3-dihydro-1H-indole-5,6-diol;hydrobromide
InChI:
InChI=1S/C8H9NO2.BrH/c10-7-3-5-1-2-9-6(5)4-8(7)11;/h3-4,9-11H,1-2H2;1H
InChI Key:
TXMQOPNBBITFNX-UHFFFAOYSA-N
SMILES:
Oc1cc2NCCc2cc1O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.989g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
232.077g/mol
Monoisotopic Mass:
230.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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