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Home > Indoles and Oxindole > 141726-20-7
141726-20-7 | 1H-Indole, 5-methyl-, hydrate (1:1)
CAS No: 141726-20-7 Catalog No: AG001GXP MDL No:
Product Description
Catalog Number:
AG001GXP
Chemical Name:
1H-Indole, 5-methyl-, hydrate (1:1)
CAS Number:
141726-20-7
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
IUPAC Name:
5-methyl-1H-indole;hydrate
InChI:
InChI=1S/C9H9N.H2O/c1-7-2-3-9-8(6-7)4-5-10-9;/h2-6,10H,1H3;1H2
InChI Key:
OIVKNKRJYUATTK-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)cc[nH]2.O
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
149.193g/mol
Monoisotopic Mass:
149.084g/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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