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Home > Indoles and Oxindole > 160460-25-3
160460-25-3 | 1H-Indole, hydrate (1:1)
CAS No: 160460-25-3 Catalog No: AG001RY2 MDL No:
Product Description
Catalog Number:
AG001RY2
Chemical Name:
1H-Indole, hydrate (1:1)
CAS Number:
160460-25-3
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
IUPAC Name:
1H-indole;hydrate
InChI:
InChI=1S/C8H7N.H2O/c1-2-4-8-7(3-1)5-6-9-8;/h1-6,9H;1H2
InChI Key:
BQLKDRKXLYBIQR-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)[nH]cc2.O
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
135.166g/mol
Monoisotopic Mass:
135.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
16.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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