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Home > Indoles and Oxindole > 182195-88-6
182195-88-6 | 1H-Indole, hydrate (1:2)
CAS No: 182195-88-6 Catalog No: AG0023GA MDL No:
Product Description
Catalog Number:
AG0023GA
Chemical Name:
1H-Indole, hydrate (1:2)
CAS Number:
182195-88-6
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
IUPAC Name:
1H-indole;dihydrate
InChI:
InChI=1S/C8H7N.2H2O/c1-2-4-8-7(3-1)5-6-9-8;;/h1-6,9H;2*1H2
InChI Key:
CMHDRMUNLJNBBE-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)[nH]cc2.O.O
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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